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1292369-18-6 | 2H-Azepin-2-one, 6-aminohexahydro-, hydrochloride (1:1)
CAS No: 1292369-18-6 Catalog No: AG000Z02 MDL No:MFCD15529629
Product Description
Catalog Number:
AG000Z02
Chemical Name:
2H-Azepin-2-one, 6-aminohexahydro-, hydrochloride (1:1)
CAS Number:
1292369-18-6
Molecular Formula:
C6H13ClN2O
Molecular Weight:
164.6332
MDL Number:
MFCD15529629
IUPAC Name:
6-aminoazepan-2-one;hydrochloride
InChI:
InChI=1S/C6H12N2O.ClH/c7-5-2-1-3-6(9)8-4-5;/h5H,1-4,7H2,(H,8,9);1H
InChI Key:
QUXLWSYWZOMWDX-UHFFFAOYSA-N
SMILES:
NC1CCCC(=O)NC1.Cl
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
164.633g/mol
Monoisotopic Mass:
164.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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