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10017-39-7 | Benzoic acid, 2-(aminomethyl)-, hydrochloride (1:1)
CAS No: 10017-39-7 Catalog No: AG00015O MDL No:MFCD09028989
Product Description
Catalog Number:
AG00015O
Chemical Name:
Benzoic acid, 2-(aminomethyl)-, hydrochloride (1:1)
CAS Number:
10017-39-7
Molecular Formula:
C8H10ClNO2
Molecular Weight:
187.6235
MDL Number:
MFCD09028989
IUPAC Name:
2-(aminomethyl)benzoic acid;hydrochloride
InChI:
InChI=1S/C8H9NO2.ClH/c9-5-6-3-1-2-4-7(6)8(10)11;/h1-4H,5,9H2,(H,10,11);1H
InChI Key:
HWHUNDJAGYQZHL-UHFFFAOYSA-N
SMILES:
NCc1ccccc1C(=O)O.Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.623g/mol
Monoisotopic Mass:
187.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of novel aromatic substrates and competitive inhibitors of GABA aminotransferase. | Bioorganic & medicinal chemistry letters 20080515 |
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