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209983-91-5 | 2H-Azepin-2-one, 3-aminohexahydro-1-(phenylmethyl)-, (3S)-
CAS No: 209983-91-5 Catalog No: AG002KID MDL No:MFCD01861208
Product Description
Catalog Number:
AG002KID
Chemical Name:
2H-Azepin-2-one, 3-aminohexahydro-1-(phenylmethyl)-, (3S)-
CAS Number:
209983-91-5
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD01861208
IUPAC Name:
(3S)-3-amino-1-benzylazepan-2-one
InChI:
InChI=1S/C13H18N2O/c14-12-8-4-5-9-15(13(12)16)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14H2/t12-/m0/s1
InChI Key:
WUBFFASJCUPUCX-LBPRGKRZSA-N
SMILES:
O=C1[C@@H](N)CCCCN1Cc1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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