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1458-19-1 | 2-Pyrazinecarboxylic acid, 3,5-diamino-, methyl ester
CAS No: 1458-19-1 Catalog No: AG001DFG MDL No:MFCD11616136
Product Description
Catalog Number:
AG001DFG
Chemical Name:
2-Pyrazinecarboxylic acid, 3,5-diamino-, methyl ester
CAS Number:
1458-19-1
Molecular Formula:
C6H8N4O2
Molecular Weight:
168.1533
MDL Number:
MFCD11616136
IUPAC Name:
methyl 3,5-diaminopyrazine-2-carboxylate
InChI:
InChI=1S/C6H8N4O2/c1-12-6(11)4-5(8)10-3(7)2-9-4/h2H,1H3,(H4,7,8,10)
InChI Key:
LMGVITOFKPGSPZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(nc1N)N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.156g/mol
Monoisotopic Mass:
168.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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