Aminopyrazine carboxamide

HCID 280292

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Basic information

CAS: 32587-10-3
Standard SMILES: NC(=O)c1nccnc1N
InChIKey: SFSMATGDLFHTHE-UHFFFAOYSA-N
Molecular formula: C5H6N4O
Average molar mass: 138.13 g/mol
Monoisotopic mass: 138.05416081

Names & identifiers

Preferred name: Aminopyrazine carboxamide
IUPAC: 3-aminopyrazine-2-carboxamide
English name: Pyrazinecarboxamide, 3-amino- (7CI,9CI)
Molecular formula: C5H6N4O
Molecular weight: 138.13

Names & synonyms

3-aminopyrazine-2-carboxamide32587-10-3Aminopyrazine carboxamide3-amino-2-pyrazinecarboxamideNSC 2413323K43224J9UNSC 131841NSC-131841NSC-241332PYRAZINAMIDE, 3-AMINO-3-AMINOPYRAZINCARBOXAMIDEUNII-3K43224J9U

Show more names

Pyrazinecarboxamide, 3-aminoPyrazinecarboxamide, 3-amino- (7CI,9CI)3-Amino-pyrazine-2-carboxylic acid amide

DTXSID901862812-AMINO-3-CARBAMOYLPYRAZINE2-AMINOPYRAZINE-3-CARBOXAMIDEPYRAZINECARBOXAMIDE, 3-AMINO-2-PYRAZINECARBOXAMIDE, 3-AMINO-RefChem:112073DTXCID00108772859-037-3

Database identifiers

CAS: 32587-10-3
PubChem CID: 280292
DTXSID: DTXSID90186281
UNII: 3K43224J9U
EC Number: 859-037-3

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 94.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 239.3 °C · 239.3 °C
Boiling point: 375.8 · 375.8±37.0 °C(Predicted)
Density: 1.426 · 1.426±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
form: Solid
pka: 13.68 · 13.68±0.50(Predicted)
Appearance: Light brown to brown Solid
CAS DataBase Reference: 32587 · 32587-10-3
FDA UNII: 3 K43224J9U · 3K43224J9U
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.