AG003M25

4496-49-5 | 4-(tert-butyl)-N-phenylaniline

AG003M25

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CAS Number	4496-49-5
Catalog Number	AG003M25(AGN-PC-009AR9)
Chemical Name	4-(tert-butyl)-N-phenylaniline
IUPAC Name	4-tert-butyl-N-phenylaniline
InChI	InChI=1S/C16H19N/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12,17H,1-3H3
InChI Key	UOMXLEWVJZEVGP-UHFFFAOYSA-N
MDL Number	MFCD00443884
Molecular Formula	C16H19N
Molecular Weight	225.3288
SMILES	CC(C1=CC=C(C=C1)NC2=CC=CC=C2)(C)C
UNII	J0424V222U
Synonyms	4496-49-5, 4-tert-butyl-N-phenylaniline, (4-tert-Butyl-phenyl)-phenyl-amine, 4-tert-butyldiphenylamine, 4-(tert-Butyl)-N-phenylaniline, N-(4-tert-butylphenyl)aniline, UNII-J0424V222U, Benzenamine, 4-(1,1-dimethylethyl)-N-phenyl-, J0424V222U, p-t-butyldiphenylamine, 4-tert-butyl-phenylaniline, 4-tert-butylphenylphenylamine, SCHEMBL502030, N-phenyl-p-tertiarybutylaniline, (4-tert-butylphenyl)phenylamine, CTK4I8547, DTXSID30466175, UOMXLEWVJZEVGP-UHFFFAOYSA-N, MFCD00443884, ZINC21995825, AKOS015965835, ACM4496495, GS-5448, TRA-0205126, AC-20800, AJ-79920, AK113928, CJ-17172, SY019514, AX8046034, TC-307739, X4449, Benzenamine,4-(1,1-dimethylethyl)-N-phenyl-, K-8990, MFCD00443884 (97+%), 496B495, N-phenyl-4-tert-butyl-aniline, C16H19N, ACN-052304, CID11447459, 37052-78-1,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.152g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.335g/mol
Monoisotopic Mass	225.152g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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