N-(5-formylimino-2,6-dihydro-1H-pyrazin-3-yl)formamide
Basic information
- CAS
35975-28-1- Standard SMILES
O=CN=C1CNCC(NC=O)=N1- InChIKey
OEEPFFZKVWLXGU-UHFFFAOYSA-N- Molecular formula
- C6H8N4O2
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.06472551
Names & identifiers
- Preferred name
- N-(5-formylimino-2,6-dihydro-1H-pyrazin-3-yl)formamide
- IUPAC
- N-(5-formylimino-2,6-dihydro-1H-pyrazin-3-yl)formamide
- English name
- N,N'-(2,6-Piperazinediylidene)bisformamide
- Molecular formula
- C6H8N4O2
- Molecular weight
- 168.15
Names & synonyms
DTXSID5033684135975-28-1N-(5-formylimino-2,6-dihydro-1H-pyrazin-3-yl)formamideRefChem:362371DTXCID90287929Formamide, N,N'-2,6-piperazinediylidenebis-OEEPFFZKVWLXGU-UHFFFAOYSA-NN-[(2E)-6-Formamido-4,5-dihydropyrazin-2(3H)-ylidene]formamideN,N'-(2,6-Piperazinediylidene)bisformamideFormamide, N-[6-(formylamino)-4,5-dihydro-2(3H)-pyrazinylidene]- (9CI)
Database identifiers
- CAS
35975-28-1- PubChem CID
- 536704
- DTXSID
DTXSID50336841- Nikkaji
- J108.980C
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 337.4 · 337.4±52.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 10.71 · 10.71±0.20(Predicted)
- Comptox DTXSID
- 50336841 · DTXSID50336841
- HS Code
- 2933599090 · 2933599090
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
- hs_code
- 2933599090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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