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1417794-63-8 | 2-Pyrazinecarboxylic acid, 5-amino-, methyl ester, hydrochloride (1:1)
CAS No: 1417794-63-8 Catalog No: AG001H5Q MDL No:MFCD18425624
Product Description
Catalog Number:
AG001H5Q
Chemical Name:
2-Pyrazinecarboxylic acid, 5-amino-, methyl ester, hydrochloride (1:1)
CAS Number:
1417794-63-8
Molecular Formula:
C6H8ClN3O2
Molecular Weight:
189.5996
MDL Number:
MFCD18425624
IUPAC Name:
methyl 5-aminopyrazine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C6H7N3O2.ClH/c1-11-6(10)4-2-9-5(7)3-8-4;/h2-3H,1H3,(H2,7,9);1H
InChI Key:
RYFJIGRZNJMIQD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cn1)N.Cl
Properties
Complexity:
151
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:
2
Isotope Atom Count:
0
Molecular Weight:
189.599g/mol
Monoisotopic Mass:
189.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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