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206434-45-9 | 2H-Azepin-2-one, 3-amino-1-ethylhexahydro-, (3S)-
CAS No: 206434-45-9 Catalog No: AG002IH7 MDL No:MFCD01861209
Product Description
Catalog Number:
AG002IH7
Chemical Name:
2H-Azepin-2-one, 3-amino-1-ethylhexahydro-, (3S)-
CAS Number:
206434-45-9
Molecular Formula:
C8H16N2O
Molecular Weight:
156.2254
MDL Number:
MFCD01861209
IUPAC Name:
(3S)-3-amino-1-ethylazepan-2-one
InChI:
InChI=1S/C8H16N2O/c1-2-10-6-4-3-5-7(9)8(10)11/h7H,2-6,9H2,1H3/t7-/m0/s1
InChI Key:
KBJPENFOWBANKE-ZETCQYMHSA-N
SMILES:
CCN1CCCC[C@@H](C1=O)N
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
156.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.229g/mol
Monoisotopic Mass:
156.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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