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

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

CAS No.:
1187582-44-0
Catalog Number:
AG01BBNE
Molecular Formula:
C10H13Cl2N3O2
Molecular Weight:
278.1351
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Product Description
Catalog Number:
AG01BBNE
Chemical Name:
2-(2-aminoethyl)-1H-1,3-benzodiazole-5-carboxylic acid dihydrochloride
CAS Number:
1187582-44-0
Molecular Formula:
C10H13Cl2N3O2
Molecular Weight:
278.1351
MDL Number:
MFCD09029283
IUPAC Name:
2-(2-aminoethyl)-3H-benzimidazole-5-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C10H11N3O2.2ClH/c11-4-3-9-12-7-2-1-6(10(14)15)5-8(7)13-9;;/h1-2,5H,3-4,11H2,(H,12,13)(H,14,15);2*1H
InChI Key:
SPWLWROZLBMGFJ-UHFFFAOYSA-N
SMILES:
NCCc1nc2c([nH]1)ccc(c2)C(=O)O.Cl.Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.038g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
278.133g/mol
Monoisotopic Mass:
277.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties