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137036-55-6 | 2H-1-Benzazepin-2-one, 3-amino-1,3,4,5-tetrahydro-, (3R)-
CAS No: 137036-55-6 Catalog No: AG0012R4 MDL No:MFCD01076210
Product Description
Catalog Number:
AG0012R4
Chemical Name:
2H-1-Benzazepin-2-one, 3-amino-1,3,4,5-tetrahydro-, (3R)-
CAS Number:
137036-55-6
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD01076210
IUPAC Name:
(3R)-3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
InChI:
InChI=1S/C10H12N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)/t8-/m1/s1
InChI Key:
AUAKXRGQXZRTQC-MRVPVSSYSA-N
SMILES:
O=C1Nc2ccccc2CC[C@H]1N
EC Number:
603-998-1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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