1-(Pyrazin-2-YL)butan-1-amine
Basic information
- CAS
885275-28-5- Standard SMILES
CCCC(N)c1cnccn1- InChIKey
GRCUTLOLHFPBBN-UHFFFAOYSA-N- Molecular formula
- C8H13N3
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.11094743
Names & identifiers
- Preferred name
- 1-(Pyrazin-2-YL)butan-1-amine
- IUPAC
- 1-pyrazin-2-ylbutan-1-amine
- English name
- 1-Pyrazin-2-yl-butylamine
- Molecular formula
- C8H13N3
- Molecular weight
- 151.21
Names & synonyms
1-(PYRAZIN-2-YL)BUTAN-1-AMINE885275-28-51-PYRAZIN-2-YL-BUTYLAMINE1-pyrazin-2-ylbutan-1-amineDTXSID60591388AKOS010036140AB275852-Pyrazinemethanamine, α-propyl-
Database identifiers
- CAS
885275-28-5- PubChem CID
- 17864962
- DTXSID
DTXSID60591388
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 249.7 · 249.7±25.0 °C(Predicted)
- Density
- 1.034 · 1.034±0.06 g/cm3(Predicted)
- pka
- 8.24 · 8.24±0.46(Predicted)
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Compound notes
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