AG001T68

16245-79-7 | Benzenamine, 4-octyl-

AG001T68

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CAS Number	16245-79-7
Catalog Number	AG001T68(AGN-PC-0JLVMT)
Chemical Name	Benzenamine, 4-octyl-
EC Number	240-358-7
IUPAC Name	4-octylaniline
InChI	InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
InChI Key	ORKQJTBYQZITLA-UHFFFAOYSA-N
MDL Number	MFCD00007929
Molecular Formula	C14H23N
Molecular Weight	205.3391
SMILES	NC1=CC=C(CCCCCCCC)C=C1
UNII	O9FN212WZZ
Synonyms	4-Octylaniline, 4-n-Octylaniline, 16245-79-7, Benzenamine, 4-octyl-, p-Octylaniline, 4-Octylphenylamine, UNII-O9FN212WZZ, EINECS 240-358-7, MFCD00007929, O9FN212WZZ, ORKQJTBYQZITLA-UHFFFAOYSA-N, FR-1217, p-n-octylaniline, 4-octyl aniline, ACMC-209dof, 4-Octylaniline, 99%, AC1L39AF, AC1Q53DA, SCHEMBL111952, DTXSID6022266, CTK0I0102, ZINC2567979, 4-(n-C8H17)C6H4NH2, 8242AA, ANW-21997, SBB008315, AKOS015839936, MCULE-5354184296, RTR-006950, KS-0000163I, AK-60998, CC-20194, R317, AX8099631, DB-000245, LS-184966, TL8001240, TR-006950, FT-0637341, O0186, ST50827115, C-31196, I01-7363, J-009938, F0001-0584, C14H23N, CID85346, AR-1L1399, C14-H23-N, 4-Octylaniline, 95% - 25G 25g, 1655-49-8,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.183g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.345g/mol
Monoisotopic Mass	205.183g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H335-H400
Packing Group	Ⅲ
Precautionary statements	P261-P273-P305+P351+P338
UN Code	UN 3082

Certificate of Analysis

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