AG002BOI

19869-42-2 | 1-Methylhexahydroazepin-4-one, HCl

AG002BOI

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CAS Number	19869-42-2
Catalog Number	AG002BOI(AGN-PC-0N0FSW)
Chemical Name	1-Methylhexahydroazepin-4-one, HCl
EC Number	606-393-0
IUPAC Name	1-methylazepan-4-one;hydrochloride
InChI	InChI=1S/C7H13NO.ClH/c1-8-5-2-3-7(9)4-6-8;/h2-6H2,1H3;1H
InChI Key	BHSJZGRGJYULPA-UHFFFAOYSA-N
MDL Number	MFCD07779465
Molecular Formula	C7H14ClNO
Molecular Weight	163.6452
SMILES	Cl.CN1CCCC(CC1)=O
Synonyms	1-methylazepan-4-one Hydrochloride, 19869-42-2, 1-methylhexahydroazepin-4-one hydrochloride, 1-METHYLAZEPAN-4-ONE HCL, 1-Methylhexahydroazepin-4-one HCl, 4H-Azepin-4-one, hexahydro-1-methyl-, hydrochloride, 1-methylazaperhydroepin-4-one, chloride, 1-Methyl-azepan-4-one HCl, 1-Methyl-azepan-4-one Hydrochloride, PubChem2443, SCHEMBL2307207, CTK0H4689, DTXSID20436620, 1-methylperhydroazepin-4-one HCl, BHSJZGRGJYULPA-UHFFFAOYSA-N, 1-methyl-4-azepanone hydrochloride, 1-methylazepan-4-one;hydrochloride, N-Methylazepan-4-one hydrochloride, ACN-S003060, 1-Methylhexahydroazepin-4-one, HCl, ANW-52103, CM-880, MFCD07779465, SBB056265, AKOS015845722, AB42491, AC-2729, CS-W003427, DS-0427, LS40279, MCULE-1607887623, KS-000024K6, AK-25019, AN-13680, BR-25019, O283, SC-02179, SY002715, 1-Methyl-4-azepanone hydrochloride (1:1), 1-Methylhexahydro-4-azepinone hydrochloride, AB0016367, TX-011579, 4CH-005977, FT-0637919, ST24032232, ST50950106, MFCD07779465 (97+%), 859M332, A814020, I14-0937, 1-methylhexahydroazepin-4-one hydrochloride, AldrichCPR, 4H-AZEPIN-4-ONE,HEXAHYDRO-1-METHYL HYDROCHLORIDE, 4H-Azepin-4-one, hexahydro-1-methyl-, hydrochloride (1:1), C7H13NO.HCl, CID10197846, hexahydro-1-methyl-4h-azepin-4-one hydrochloride, S-2266, 1859-33-2, 183483-09-2,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.076g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.645g/mol
Monoisotopic Mass	163.076g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number