Basic information
- CAS
25911-65-3- Standard SMILES
N#Cc1nccnc1N- InChIKey
GPIZLEHIVRHDAW-UHFFFAOYSA-N- Molecular formula
- C5H4N4
- Average molar mass
- 120.11 g/mol
- Monoisotopic mass
- 120.04359613
Names & identifiers
- Preferred name
- 3-Aminopyrazine-2-carbonitrile
- IUPAC
- 3-aminopyrazine-2-carbonitrile
- English name
- 3-AMINOPYRAZINE-2-CARBONITRILE
- Molecular formula
- C5H4N4
- Molecular weight
- 120.11
Names & synonyms
3-aminopyrazine-2-carbonitrile25911-65-3DTXSID90355839RefChem:276676DTXCID60306898815-628-83-amino-2-pyrazinecarbonitrileMFCD020915102-Pyrazinecarbonitrile, 3-amino-3-amino-pyrazine-2-carbonitrileSCHEMBL2877700AKOS011966863
Show more names
BUTTPARK 29\04-922-aMino-3-cyanopyrazine3-AMINOPYRAZINE-2-CARBONITRILE ISO 9001：2015 REACH
AB10707AC-25171DS-10921Z995018904Pyrazinecarbonitrile, 3-amino-3-amino-pyrazBCP23267A5169
Database identifiers
- CAS
25911-65-3- PubChem CID
- 817699
- DTXSID
DTXSID90355839- EC Number
- 815-628-8
- Nikkaji
- J331.350F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Melting point
- 191.9 °C · 191.9 °C
- Boiling point
- 364.8 · 364.8±42.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 1.45 · 1.45±0.10(Predicted)
- Appearance
- Light brown to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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 CategoriesAcute Tox. 3 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Aminopyrazine-2-carbonitrile is a useful synthesis reagent.
Upstream & downstream products
Upstream raw materials
Related reactions
23 records
Compound notes
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