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115022-95-2 | Propanamide, 3-amino-N-phenyl-, hydrochloride (1:1)
CAS No: 115022-95-2 Catalog No: AG000FPI MDL No:MFCD13193981
Product Description
Catalog Number:
AG000FPI
Chemical Name:
Propanamide, 3-amino-N-phenyl-, hydrochloride (1:1)
CAS Number:
115022-95-2
Molecular Formula:
C9H13ClN2O
Molecular Weight:
200.6653
MDL Number:
MFCD13193981
IUPAC Name:
3-amino-N-phenylpropanamide;hydrochloride
InChI:
InChI=1S/C9H12N2O.ClH/c10-7-6-9(12)11-8-4-2-1-3-5-8;/h1-5H,6-7,10H2,(H,11,12);1H
InChI Key:
MPMIMACTZNZBSD-UHFFFAOYSA-N
SMILES:
NCCC(=O)Nc1ccccc1.Cl
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
200.666g/mol
Monoisotopic Mass:
200.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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