AG003K0C

15233-47-3 | 4-(2-Octylamino)diphenylamine

AG003K0C

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CAS Number	15233-47-3
Catalog Number	AG003K0C(AGN-PC-0JLVWZ)
Chemical Name	4-(2-Octylamino)diphenylamine
EC Number	239-281-1
IUPAC Name	4-N-octan-2-yl-1-N-phenylbenzene-1,4-diamine
InChI	InChI=1S/C20H28N2/c1-3-4-5-7-10-17(2)21-19-13-15-20(16-14-19)22-18-11-8-6-9-12-18/h6,8-9,11-17,21-22H,3-5,7,10H2,1-2H3
InChI Key	JQTYAZKTBXWQOM-UHFFFAOYSA-N
MDL Number	MFCD00059441
Molecular Formula	C20H28N2
Molecular Weight	296.4497
SMILES	CC(NC1=CC=C(NC2=CC=CC=C2)C=C1)CCCCCC
Synonyms	N-octyl-N'-phenyl-p-phenylenediamine, UOP 688, UOP-688, 15233-47-3, 4-(2-Octylamino)diphenylamine, N1-(octan-2-yl)-N4-phenylbenzene-1,4-diamine, N-1-Methylheptyl-N'-phenyl-p-phenylenediamine, EINECS 239-281-1, N-(1-Methylheptyl)-N'-phenyl-p-phenylenediamine, N-(1-Methylheptyl)-N'-phenyl-1,4-benzenediamine, p-Phenylenediamine, N-(1-methylheptyl)-N'-phenyl-, 1,4-Benzenediamine, N-(1-methylheptyl)-N'-phenyl-, 1,4-Benzenediamine, N1-(1-methylheptyl)-N4-phenyl-, 29590-61-2, 1,4-Benzenediamine, N-sec-octyl-N'-phenyl-, W-110408, Uop 688, AC1L3AAE, AC1Q4TQM, DSSTox_CID_7771, n-(2-octanyl)-n'-phenyl-1,4-benzenediamine, DSSTox_RID_78561, DSSTox_GSID_27771, SCHEMBL38948, CHEMBL3188970, DTXSID0027771, Tox21_301489, MFCD00059441, AKOS027320209, ACM29590612, NCGC00255230-01, N-[4-(Phenylamino)phenyl]octane-2-amine, CAS-15233-47-3, LS-195427, FT-0704706, O0166, N-Phenyl-N'-(2-octyl)-1,4-phenylenediamine, 4-N-octan-2-yl-1-N-phenylbenzene-1,4-diamine, N-(1-methylheptyl)-N'-phenylbenzene-1,4-diamine, N-(1-Methylheptyl)-N'-phenyl-1,4-phenylenediamine, 1,4-Benzenediamine,N1-(1-methylheptyl)-N4-phenyl-, I14-100365, 4- DIPHENYLAMINE, UNII-RY178VY9BI, RY178VY9BI, n-octyl-n'-phenyl-p-phenylenediamine, C20H28N2, CID85821, AR-1J8178, C20-H28-N2, N-1-Methylheptyl-N/'-phenyl-p-phenylenediamine, 15485-63-9,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	296.225g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	296.458g/mol
Monoisotopic Mass	296.225g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	24.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	6.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
UN Code

Certificate of Analysis

Lot Number