Basic information
- CAS
6639-84-5- Standard SMILES
CC1CCC2NCCNC2C1- InChIKey
GMSZNXUWXJEGNT-UHFFFAOYSA-N- Molecular formula
- C9H18N2
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.14699858
Names & identifiers
- Preferred name
- 6-Methyldecahydroquinoxaline
- IUPAC
- 6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
- English name
- Quinoxaline, decahydro-6-methyl- (9CI)
- Molecular formula
- C9H18N2
- Molecular weight
- 154.25
Names & synonyms
6639-84-56-methyldecahydroquinoxalineNSC48946SCHEMBL3020679DTXSID10287103NSC-48946Quinoxaline, decahydro-6-methyl-Quinoxaline, decahydro-6-methyl- (9CI)
Database identifiers
- CAS
6639-84-5- PubChem CID
- 241502
- DTXSID
DTXSID10287103
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 108 · 108-110 °C
- Boiling point
- 232.7 · 232.7±8.0 °C(Predicted)
- Density
- 0.904 · 0.904±0.06 g/cm3(Predicted)
- pka
- 10.2 · 10.20±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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