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675112-91-1 | N-{[3-(aminomethyl)phenyl]methyl}acetamide hydrochloride
CAS No: 675112-91-1 Catalog No: AG019RQM MDL No:MFCD20441634
Product Description
Catalog Number:
AG019RQM
Chemical Name:
N-{[3-(aminomethyl)phenyl]methyl}acetamide hydrochloride
CAS Number:
675112-91-1
Molecular Formula:
C10H15ClN2O
Molecular Weight:
214.6919
MDL Number:
MFCD20441634
IUPAC Name:
N-[[3-(aminomethyl)phenyl]methyl]acetamide;hydrochloride
InChI:
InChI=1S/C10H14N2O.ClH/c1-8(13)12-7-10-4-2-3-9(5-10)6-11;/h2-5H,6-7,11H2,1H3,(H,12,13);1H
InChI Key:
IQTHDQZAFNDDSA-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)CNC(=O)C.Cl
Properties
Complexity:
170
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:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking. | Journal of medicinal chemistry 20061019 |
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