AG002OL6

24566-95-8 | 2H-Azepin-2-one, 1-(3-aminopropyl)hexahydro-

AG002OL6

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CAS Number	24566-95-8
Catalog Number	AG002OL6(AGN-PC-0JLYPX)
Chemical Name	2H-Azepin-2-one, 1-(3-aminopropyl)hexahydro-
IUPAC Name	1-(3-aminopropyl)azepan-2-one
InChI	InChI=1S/C9H18N2O/c10-6-4-8-11-7-3-1-2-5-9(11)12/h1-8,10H2
InChI Key	IZYZHQOYVLYGRW-UHFFFAOYSA-N
MDL Number	MFCD00036060
Molecular Formula	C9H18N2O
Molecular Weight	170.2520
SMILES	NCCCN1C(CCCCC1)=O
Synonyms	1-(3-aminopropyl)azepan-2-one, 24566-95-8, 2H-Azepin-2-one, 1-(3-aminopropyl)hexahydro-, N-(3-Aminopropyl)-epsilon-caprolactam, 1-(3-Amino-propyl)-azepan-2-one, 1-(3-Aminopropyl)Hexahydro-2H-Azepin-2-One, AC1L3K7L, AC1Q54HY, AC1Q6FO5, SCHEMBL3512713, DTXSID5067001, N-(3-aminopropyl)-2-azepanone, CTK4F3905, IZYZHQOYVLYGRW-UHFFFAOYSA-N, ZINC4205087, BBL037030, MFCD00036060, AKOS000118458, MCULE-7534720301, KS-0000025I, AK327411, BS-13635, EN300-12162, 2H-Azepin-2-one,1-(3-aminopropyl)hexahydro-, L-2808, J-015571, F2124-0447, 1- azepan-2-one, N- -EPSILON-caprolactam, 1-(3-Aminopropyl)azepan-2-one), KST-1B2269, C9-H18-N2-O, CID90542, AR-1B1330, 25243-23-6, 468745-51-9,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.142g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.256g/mol
Monoisotopic Mass	170.142g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319
Packing Group	Ⅲ
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

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