3-Amino-6-bromopyrazine-2-carboxamide

HCID 470899

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Basic information

CAS: 17890-77-6
Standard SMILES: NC(=O)c1nc(Br)cnc1N
InChIKey: PBCURFNSKTTYGF-UHFFFAOYSA-N
Molecular formula: C5H5BrN4O
Average molar mass: 217.02 g/mol
Monoisotopic mass: 215.96467288

Names & identifiers

Preferred name: 3-Amino-6-bromopyrazine-2-carboxamide
IUPAC: 3-amino-6-bromopyrazine-2-carboxamide
English name: 3-Amino-6-bromopyrazine-2-carboxamide
Molecular formula: C5H5BrN4O
Molecular weight: 217.02

Names & synonyms

3-Amino-6-bromopyrazine-2-carboxamide17890-77-6DTXSID30332881RefChem:276572DTXCID60283973835-954-4MFCD136891852-Pyrazinecarboxamide, 3-amino-6-bromo-3-amino-6-bromo-pyrazine-2-carboxamideSCHEMBL617348SCHEMBL13353985AKOS015909834

Show more names

DS-13006SY1069133-Amino-6-bromo-pyrazine-2-carboxylic acid amidep-Me3-Amino-6-bromo-2-pyrazinecarboxamideFT-0686912DB-012962A2775

Database identifiers

CAS: 17890-77-6
PubChem CID: 470899
DTXSID: DTXSID30332881
EC Number: 835-954-4

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 94.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 215 · 215-217 °C
Boiling point: 333.8 · 333.8±42.0 °C(Predicted)
Density: 1.919 · 1.919
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: powder to crystal
pka: 13.06 · 13.06±0.50(Predicted)
color: White to Orange to Green
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2933.99 · 2933.99.8290

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933.99.8290
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362