MedKoo Cat#: 535296 | Name: Benzylaniline

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Benzylaniline is a major metabolite of antazoline.

Chemical Structure

Benzylaniline
CAS#103-32-2

Theoretical Analysis

MedKoo Cat#: 535296

Name: Benzylaniline

CAS#: 103-32-2

Chemical Formula: C13H13N

Exact Mass: 183.1048

Molecular Weight: 183.25

Elemental Analysis: C, 85.21; H, 7.15; N, 7.64

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
Benzylaniline
IUPAC/Chemical Name
Benzenemethanamine, N-phenyl-
InChi Key
GTWJETSWSUWSEJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2
SMILES Code
C1(CNC2=CC=CC=C2)=CC=CC=C1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 183.25 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Qiao Z , Zhou Q , Zhang H , Wei N , Zhang Y , Wang K . The visualization of hERG channels in living cells via a fluorescent probe regulated by the synergy between solvatochromism and molecular rotation based on simple targeting of the group 4-benzylaniline. Chem Commun (Camb). 2019 May 7;55(38):5515-5518. doi: 10.1039/c9cc01735f. PMID: 31020283. 2: Sun H, Chai Y, Pan Y. Dissociative benzyl cation transfer versus proton transfer: loss of benzene from protonated N-benzylaniline. J Org Chem. 2012 Aug 17;77(16):7098-102. doi: 10.1021/jo301011e. Epub 2012 Jul 31. PMID: 22823406. 3: Gibson EK, Winfield JM, Muir KW, Carr RH, Eaglesham A, Gavezzotti A, Parker SF, Lennon D. A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene. Phys Chem Chem Phys. 2009 Jan 14;11(2):288-97. doi: 10.1039/b810027f. Epub 2008 Nov 25. PMID: 19088984. 4: Cushman M, He HM, Lin CM, Hamel E. Synthesis and evaluation of a series of benzylaniline hydrochlorides as potential cytotoxic and antimitotic agents acting by inhibition of tubulin polymerization. J Med Chem. 1993 Sep 17;36(19):2817-21. doi: 10.1021/jm00071a012. PMID: 8410995. 5: Arslan M, Duymus H, Yakuphanoglu F. Optical properties of the poly(N-benzylaniline) thin film. J Phys Chem B. 2006 Jan 12;110(1):276-80. doi: 10.1021/jp054844m. PMID: 16471533. 6: Su H, Gao P, Wang MY, Zhai GY, Zhang JJ, Zhao TJ, Su J, Antonietti M, Li XH, Chen JS. Grouping Effect of Single Nickel-N4 Sites in Nitrogen-Doped Carbon Boosts Hydrogen Transfer Coupling of Alcohols and Amines. Angew Chem Int Ed Engl. 2018 Nov 12;57(46):15194-15198. doi: 10.1002/anie.201809858. Epub 2018 Oct 24. PMID: 30251296. 7: Khosla MM, Singh SR, Rao SP. Solvent extraction and separation of gallium, indium and thallium with N-benzylaniline. Talanta. 1974 Jun;21(6):411-5. doi: 10.1016/0039-9140(74)80169-4. PMID: 18961477. 8: Han SY, Inoue H, Terada T, Kamoda S, Saburi Y, Sekimata K, Saito T, Kobayashi M, Shinozaki K, Yoshida S, Asami T. N-benzylideneaniline and N-benzylaniline are potent inhibitors of lignostilbene-alpha,beta-dioxygenase, a key enzyme in oxidative cleavage of the central double bond of lignostilbene. J Enzyme Inhib Med Chem. 2003 Jun;18(3):279-83. doi: 10.1080/1475636031000080207. PMID: 14506920. 9: Zhang J, Huang H, Zhou X, Xu Y, Chen B, Tang W, Xu K. N-Benzylanilines as Fatty Acid Synthesis Inhibitors against Biofilm-related Methicillin-resistant Staphylococcus aureus. ACS Med Chem Lett. 2019 Feb 28;10(3):329-333. doi: 10.1021/acsmedchemlett.8b00612. PMID: 30891135; PMCID: PMC6421535. 10: Gupta S, Bajaj AV. Extra precision glide docking, free energy calculation and molecular dynamics studies of 1,2-diarylethane derivatives as potent urease inhibitors. J Mol Model. 2018 Aug 29;24(9):261. doi: 10.1007/s00894-018-3787-4. PMID: 30159776. 11: Ali HM, Beckett AH. Identification of a new metabolite after incubation of N-benzylaniline with rabbit liver microsomes. J Chromatogr. 1980 Dec 19;202(2):287-93. doi: 10.1016/s0021-9673(00)81739-2. PMID: 7462366. 12: Basant N, Lin X, Reid TE, Karla PK, Wang XS. Discovery of a Novel HDAC2 Inhibitor by a Scaffold-Merging Hybrid Query. Comb Chem High Throughput Screen. 2015;18(7):693-700. doi: 10.2174/1386207318666150706103918. PMID: 26144283; PMCID: PMC4677828. 13: DENATALE G, CAUSA P, COSICIA L. PHARMAKOLOGISCHE UNTERSUCHUNGEN EINIGER NEUER BETA-PHENYL-DERIVATE DES N-DIMETHYLAMINOAETHYL-N-BENZYLANILINS [PHARMACOLOGIC STUDIES ON SOME NEW BETA-PHENYL DERIVATIVES ON N-DIMETHYLAMINOETHYL-N-BENZYLANILINE. 2]. Arzneimittelforschung. 1964 Nov;14:1238-41. German. PMID: 14317940. 14: SCHMITT J, SUQUET M, AUROUSSEAU M. Substances antispasmodiques dérivant de la benzylaniline [Antispasmodic substances derived from benzylaniline]. Ann Pharm Fr. 1956 Jul-Aug;14(7-8):566-82. French. PMID: 13403472. 15: DENATALE G, COSCIA L, CAUSA P. PHARMAKOLOGISCHE UNTERSUCHUNGEN EINIGER NEUER DERIVATE DES N-DIMETHYLAMINOAETHYL-N-BENZYLANILINS. 1 [PHARMACOLOGIC STUDIES OF SOME NEW DERIVATIVES OF N-DIMETHYLAMINOTHEYL-N-BENZYLANILINE. 1]. Arzneimittelforschung. 1964 Oct;14:1146-51. German. PMID: 14343480. 16: AUROUSSEAU M. Pouvoir antispasmodique de dérivés de la benzylaniline. I. Dérivés de la phényléthylènediamine [Antispasmodic properties of benzylaniline derivatives. I. Phenylethylenediamine derivatives]. Therapie. 1957;12(3):412-21. French. PMID: 13455612. 17: Morstein J, Awale M, Reymond JL, Trauner D. Mapping the Azolog Space Enables the Optical Control of New Biological Targets. ACS Cent Sci. 2019 Apr 24;5(4):607-618. doi: 10.1021/acscentsci.8b00881. Epub 2019 Mar 13. PMID: 31041380; PMCID: PMC6487453. 18: AUROUSSEAU M. Pouvoir antispasmodique de dérivés de la benzylaniline. II. Ethers phénoliques [Antispasmotic action of benzylaniline derivatives. II. Phenolic ethers]. Therapie. 1957;12(4):558-68. French. PMID: 13467832. 19: Srivastava P, Tripathi PN, Sharma P, Shrivastava SK. Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem. 2019 Aug 15;27(16):3650-3662. doi: 10.1016/j.bmc.2019.07.001. Epub 2019 Jul 4. PMID: 31288978. 20: Jia X, Liu X, Yuan Y, Li P, Hou W, He K. Radical Cation Salt-initiated Aerobic C-H Phosphorylation of N-Benzylanilines: Synthesis of α-Aminophosphonates. Chem Asian J. 2018 Jun 3. doi: 10.1002/asia.201800584. Epub ahead of print. PMID: 29862658.