Home Carboxys 2-(aminomethyl)-1H-1,3-benzodiazole-5-carboxylic acid dihydrochloride

2-(aminomethyl)-1H-1,3-benzodiazole-5-carboxylic acid dihydrochloride

CAS No.:
1803594-45-7
Catalog Number:
AG01BC8G
Molecular Formula:
C9H11Cl2N3O2
Molecular Weight:
264.1085
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Product Description
Catalog Number:
AG01BC8G
Chemical Name:
2-(aminomethyl)-1H-1,3-benzodiazole-5-carboxylic acid dihydrochloride
CAS Number:
1803594-45-7
Molecular Formula:
C9H11Cl2N3O2
Molecular Weight:
264.1085
MDL Number:
MFCD28714744
IUPAC Name:
2-(aminomethyl)-3H-benzimidazole-5-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C9H9N3O2.2ClH/c10-4-8-11-6-2-1-5(9(13)14)3-7(6)12-8;;/h1-3H,4,10H2,(H,11,12)(H,13,14);2*1H
InChI Key:
VRNXUZGUCDXZDR-UHFFFAOYSA-N
SMILES:
NCc1[nH]c2c(n1)cc(cc2)C(=O)O.Cl.Cl
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.023g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
264.106g/mol
Monoisotopic Mass:
263.023g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties