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139244-45-4 | 2-Pyrazinecarboxylic acid, 2-(dimethylamino)ethyl ester
CAS No: 139244-45-4 Catalog No: AG001AJY MDL No:
Product Description
Catalog Number:
AG001AJY
Chemical Name:
2-Pyrazinecarboxylic acid, 2-(dimethylamino)ethyl ester
CAS Number:
139244-45-4
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
IUPAC Name:
2-(dimethylamino)ethyl pyrazine-2-carboxylate
InChI:
InChI=1S/C9H13N3O2/c1-12(2)5-6-14-9(13)8-7-10-3-4-11-8/h3-4,7H,5-6H2,1-2H3
InChI Key:
IFZIGCDSWUQJSC-UHFFFAOYSA-N
SMILES:
CN(CCOC(=O)c1nccnc1)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Antimycobacterial activity of a series of pyrazinoic acid esters. | Journal of medicinal chemistry 19920403 |
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