(4AS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-amine
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Basic information
- CAS
179685-50-8- Standard SMILES
NC1=N[C@@H]2CCCC[C@@H]2NC1- InChIKey
SDSNUHYTHMYGNO-NKWVEPMBSA-N- Molecular formula
- C8H15N3
- Average molar mass
- 153.22 g/mol
- Monoisotopic mass
- 153.12659749
Names & identifiers
- Preferred name
- (4AS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-amine
- IUPAC
- (4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-amine
- English name
- 2-Quinoxalinamine,3,4,4a,5,6,7,8,8a-octahydro-,cis-(9CI)
- Molecular formula
- C8H15N3
- Molecular weight
- 153.22
Names & synonyms
179685-50-8(4AS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-amineSCHEMBL84690232-Quinoxalinamine,3,4,4a,5,6,7,8,8a-octahydro-,cis-(9CI)
Database identifiers
- CAS
179685-50-8- PubChem CID
- 22872566
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 295.5 · 295.5±50.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 8.32 · 8.32±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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