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13147-86-9 | 2H-Azepin-2-one, hexahydro-3-[(phenylmethyl)amino]-
CAS No: 13147-86-9 Catalog No: AG000W9I MDL No:
Product Description
Catalog Number:
AG000W9I
Chemical Name:
2H-Azepin-2-one, hexahydro-3-[(phenylmethyl)amino]-
CAS Number:
13147-86-9
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
3-(benzylamino)azepan-2-one
InChI:
InChI=1S/C13H18N2O/c16-13-12(8-4-5-9-14-13)15-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2,(H,14,16)
InChI Key:
JRGFAORRKSDLLX-UHFFFAOYSA-N
SMILES:
O=C1NCCCCC1NCc1ccccc1
EC Number:
236-085-8
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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