AG004OYJ

847455-22-5 | 4-(HEXAHYDRO-1H-AZEPIN-1-YL)-2-METHYL-BENZENAMINE

AG004OYJ

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CAS Number	847455-22-5
Catalog Number	AG004OYJ(AGN-PC-06PBUG)
Chemical Name	4-(HEXAHYDRO-1H-AZEPIN-1-YL)-2-METHYL-BENZENAMINE
IUPAC Name	4-(azepan-1-yl)-2-methylaniline
InChI	InChI=1S/C13H20N2/c1-11-10-12(6-7-13(11)14)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9,14H2,1H3
InChI Key	MWEQTUFZBZLFLP-UHFFFAOYSA-N
MDL Number	MFCD11848936
Molecular Formula	C13H20N2
Molecular Weight	204.3113
SMILES	NC1=CC=C(N2CCCCCC2)C=C1C
Synonyms	4-(azepan-1-yl)-2-methylaniline, 847455-22-5, 4-(1-AZEPANYL)-2-METHYLANILINE, SCHEMBL6223137, CTK5F3048, DTXSID70655960, 0505AF, ZINC59233822, AKOS009115002, AJ-113335, TR-037968, FT-0681396, I14-30170, C13H20N2,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.163g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.317g/mol
Monoisotopic Mass	204.163g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P321-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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