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209983-96-0 | 2H-Azepin-2-one, 3-aminohexahydro-1-methyl-, (3S)-
CAS No: 209983-96-0 Catalog No: AG002KIC MDL No:MFCD01861210
Product Description
Catalog Number:
AG002KIC
Chemical Name:
2H-Azepin-2-one, 3-aminohexahydro-1-methyl-, (3S)-
CAS Number:
209983-96-0
Molecular Formula:
C7H14N2O
Molecular Weight:
142.1989
MDL Number:
MFCD01861210
IUPAC Name:
(3S)-3-amino-1-methylazepan-2-one
InChI:
InChI=1S/C7H14N2O/c1-9-5-3-2-4-6(8)7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1
InChI Key:
GSUTYTQBQFQORF-LURJTMIESA-N
SMILES:
N[C@H]1CCCCN(C1=O)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
142.111g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.202g/mol
Monoisotopic Mass:
142.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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