3-Amino-5,6-dimethylpyrazine-2-carboxylic acid
Basic information
- CAS
6294-71-9- Standard SMILES
Cc1nc(N)c(C(=O)O)nc1C- InChIKey
PSXTUQVQRMXQNR-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2
- Average molar mass
- 167.17 g/mol
- Monoisotopic mass
- 167.06947654
Names & identifiers
- Preferred name
- 3-Amino-5,6-dimethylpyrazine-2-carboxylic acid
- IUPAC
- 3-amino-5,6-dimethylpyrazine-2-carboxylic acid
- English name
- 3-Amino-5,6-dimethyl-pyrazine-2-carboxylic acid
- Molecular formula
- C7H9N3O2
- Molecular weight
- 167.17
Names & synonyms
3-amino-5,6-dimethylpyrazine-2-carboxylic acid6294-71-9NSC9623ChemDiv3_000322Oprea1_756854Oprea1_792817SCHEMBL38009593-AMINO-5,6-DIMETHYL-2-PYRAZINECARBOXYLIC ACIDDTXSID60278728PSXTUQVQRMXQNR-UHFFFAOYSA-NHMS1473O14NSC 9623
Show more names
IFLAB-BB F0451-01983-AMINO-5,6-DIMETHYLPYRAZINOIC ACID3-Amino-5,6-dimethyl-pyrazine-2-carboxylic acid2-Pyrazinecarboxylic acid, 3-amino-5,6-dimethyl-
NSC-9623STK093048AKOS000541755AB06540IDI1_019640NCGC00176079-01DB-183269CS-0282222
Database identifiers
- CAS
6294-71-9- PubChem CID
- 222764
- DTXSID
DTXSID60278728
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 209 · 209-210 °C
- Boiling point
- 379.6 · 379.6±42.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 4.4 · 4.40±0.10(Predicted)
Chemistry & industry
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