AG00DDTK

538-51-2 | N-Benzylideneaniline

AG00DDTK

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CAS Number	538-51-2
Catalog Number	AG00DDTK(AGN-PC-0CQHWM)
Chemical Name	N-Benzylideneaniline
EC Number	208-694-9
IUPAC Name	N,1-diphenylmethanimine
InChI	InChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H
InChI Key	UVEWQKMPXAHFST-UHFFFAOYSA-N
MDL Number	MFCD00003027
Molecular Formula	C13H11N
Molecular Weight	181.2331
NSC Number	736
SMILES	C1(/N=C/C2=CC=CC=C2)=CC=CC=C1
Synonyms	N-Benzylideneaniline, 538-51-2, (E)-N-Benzylideneaniline, BENZALANILINE, Benzylideneaniline, N-Benzylidenaniline, N-Benzalaniline, Benzaldehyde anil, Aniline, N-benzylidene-, N,1-diphenylmethanimine, N-(phenylmethylene)benzenamine, Benzenamine, N-(phenylmethylene)-, UNII-M1JG410QVC, N-(phenylmethylidene)aniline, UNII-09N8O50V91, NSC 736, NSC-736, Benzylidene-phenyl-amine, MFCD00003027, N-Benzylideneaniline, 99%, M1JG410QVC, Benzenamine, N-(phenylmethylene)-, (Z)-, N-[(E)-Phenylmethylidene]aniline, UVEWQKMPXAHFST-SDNWHVSQSA-N, UVEWQKMPXAHFST-UHFFFAOYSA-N, EINECS 208-694-9, 09N8O50V91, (Benzylidene)phenylamine, N-Phenylbenzenemethanimine, 1750-36-3, 33993-35-0, N-[Phenylmethylidene]aniline #, Diphenylimine, cis-Benzylideneaniline, trans-Benzylideneaniline, Phenyl(benzylidene)amine, Benzylideneaniline [MI], Benzylideneaniline, (Z)-, N-(Phenylmethylidene)benzenamine, N-((E)-Benzylidene)phenylamine, N-benzylidene aniline, N-phenylbenzylideneamine, ACMC-209lak, AI3-01538, Maybridge4_003619, Benzenamine, N-(phenylmethylene)-, (N(Z))-, AC1L1W3Q, AC1Q28IS, N-((E)-Benzylidene)aniline, SCHEMBL59999, (1E)-N,1-diphenylmethanimine, NSC736, CHEMBL1256376, SCHEMBL13084384, CTK0E3985, CTK1B8035, KS-00000VLG, Aniline, N-benzylidene- (8CI), (1E)-1,2-diphenyl-1-azaethene, HMS1531E11, (NE)-N-(phenylmethylidene)aniline, 6099AF, ANW-31866, STL194006, ZINC18142915, AKOS004910138, AKOS022173555, AKOS030582392, ZINC100017976, ZINC242687771, MCULE-6147954113, NE18688, benzenamine, N-[(1E)-phenylmethylene]-, AJ-70349, AJ-70350, AN-45712, Benzenamine, N-(phenylmethylene)-, (E)-, AB1001976, RT-000371, CS-0066669, Diphenylimine; N-(Phenylmethylene)benzenamine, FT-0693050, ST50308698, EN300-16168, F8880-7366, I14-114447, N-Phenylbenzylideneimine, Benzylideneaniline ((E)-form), Benzylideneaniline ((Z)-form), N-(Phenylmethylene)benzen-amine, C13H11N, CID10858, C13-H11-N, B1034, M4,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.089g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.238g/mol
Monoisotopic Mass	181.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	12.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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