Home Amines 10017-39-7
10017-39-7,MFCD09028989
Catalog No.:AA00012W
10017-39-7 | Benzoic acid, 2-(aminomethyl)-, hydrochloride (1:1)
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1g
95%
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$206.00
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5g
95%
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA00012W
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
Computed 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

Synonyms
 
2-(aminomethyl)benzoic acid hydrochloride 
10017-39-7 
MFCD09028989 
AKOS024260955 
MCULE-7214993753 
DA-16561 
AX8289807 
FT-0752261 
Z-5242 
2-(Aminomethyl)-benzoic acid hydrochloride(1:1 
2-(Aminomethyl)benzoic acid hydrochloride, 95% 
2-(Aminomethyl)benzoic acid--hydrogen chloride (1/1) 
2-AMINOMETHYL-BENZOIC ACID HYDROCHLORIDE 
Benzoic acid, 2-(aminomethyl)-, hydrochloride (1:1) 
4028019-25G 
C8H10ClNO2 
1-(4-Propoxyphenyl)cyclopentanecarboxylic acid 
25672-97-3 
CHEMBL535415 
(2-benzylamino)carboxylic acid hydrochloride 
SCHEMBL4542361 
2-(Aminomethyl)Benzoic Acid HCl 
DTXSID60669839 
ZX-CM006293 
7123AC 
Literature

Title: Synthesis and evaluation of novel aromatic substrates and competitive inhibitors of GABA aminotransferase.

Journal: Bioorganic & medicinal chemistry letters 20080515

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