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114741-49-0 | Propanamide, 3-[(phenylmethyl)amino]-, hydrochloride (1:1)
CAS No: 114741-49-0 Catalog No: AG000F55 MDL No:MFCD03776279
Product Description
Catalog Number:
AG000F55
Chemical Name:
Propanamide, 3-[(phenylmethyl)amino]-, hydrochloride (1:1)
CAS Number:
114741-49-0
Molecular Formula:
C10H15ClN2O
Molecular Weight:
214.6919
MDL Number:
MFCD03776279
IUPAC Name:
3-(benzylamino)propanamide;hydrochloride
InChI:
InChI=1S/C10H14N2O.ClH/c11-10(13)6-7-12-8-9-4-2-1-3-5-9;/h1-5,12H,6-8H2,(H2,11,13);1H
InChI Key:
BDIFUQCBFQHQHP-UHFFFAOYSA-N
SMILES:
NC(=O)CCNCc1ccccc1.Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
214.693g/mol
Monoisotopic Mass:
214.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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