Home Carboxys 2,3-diaminopyridine-4-carboxylic acid hydrochloride

2,3-diaminopyridine-4-carboxylic acid hydrochloride

CAS No.:
1423031-98-4
Catalog Number:
AG01A2E5
Molecular Formula:
C6H8ClN3O2
Molecular Weight:
189.5996
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Product Description
Catalog Number:
AG01A2E5
Chemical Name:
2,3-diaminopyridine-4-carboxylic acid hydrochloride
CAS Number:
1423031-98-4
Molecular Formula:
C6H8ClN3O2
Molecular Weight:
189.5996
MDL Number:
MFCD22578541
IUPAC Name:
2,3-diaminopyridine-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C6H7N3O2.ClH/c7-4-3(6(10)11)1-2-9-5(4)8;/h1-2H,7H2,(H2,8,9)(H,10,11);1H
InChI Key:
LJKCENPYQKJXSS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1N)N.Cl
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
189.599g/mol
Monoisotopic Mass:
189.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties