Home Other Building Blocks 3-(Aminomethyl)benzoic acid, HCl

3-(Aminomethyl)benzoic acid, HCl

CAS No.:
876-03-9
Catalog Number:
AG0039PC
Molecular Formula:
C8H10ClNO2
Molecular Weight:
187.6235
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$113
- +
25g
98%
In Stock USA
United States
$388
- +
100g
98%
In Stock USA
United States
$1157
- +
Product Description
Catalog Number:
AG0039PC
Chemical Name:
3-(Aminomethyl)benzoic acid, HCl
CAS Number:
876-03-9
Molecular Formula:
C8H10ClNO2
Molecular Weight:
187.6235
MDL Number:
MFCD03791117
IUPAC Name:
3-(aminomethyl)benzoic acid;hydrochloride
InChI:
InChI=1S/C8H9NO2.ClH/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-4H,5,9H2,(H,10,11);1H
InChI Key:
SJCCOASSOPUHEN-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)C(=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
Properties