2,6-Diaminopyrazine 1-oxide
Basic information
- CAS
41536-72-5- Standard SMILES
N=c1cncc(N)n1O- InChIKey
VOSQFMHIKHPYDY-UHFFFAOYSA-N- Molecular formula
- C4H6N4O
- Average molar mass
- 126.12 g/mol
- Monoisotopic mass
- 126.05416083
Names & identifiers
- Preferred name
- 2,6-Diaminopyrazine 1-oxide
- IUPAC
- 1-hydroxy-6-iminopyrazin-2-amine
- English name
- 2,6-Pyrazinediamine1-oxide
- Molecular formula
- C4H6N4O
- Molecular weight
- 126.12
Names & synonyms
2,6-Pyrazinediamine1-oxide2,6-diaminopyrazine 1-oxide41536-72-52,6-diaminopyrazin-1-ium-1-olateSCHEMBL3072805DTXSID401386445AS-93689H524392,6-dioxopyrazine/DAPO2,6-Diamino-pyridazine / DAPO
Database identifiers
- CAS
41536-72-5- PubChem CID
- 580919
- DTXSID
DTXSID401386445- Nikkaji
- J129.026F
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 690.7 · 690.7±50.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 2.86 · 2.86±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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