1H-1,4-Diazepine, hexahydro-1,2,2,7,7-pentamethyl-
Basic information
- CAS
20430-59-5- Standard SMILES
CN1C(C)(C)CCNCC1(C)C- InChIKey
GLCAWCBOIKYYSW-UHFFFAOYSA-N- Molecular formula
- C10H22N2
- Average molar mass
- 170.3 g/mol
- Monoisotopic mass
- 170.17829871
Names & identifiers
- Preferred name
- 1H-1,4-Diazepine, hexahydro-1,2,2,7,7-pentamethyl-
- IUPAC
- 1,2,2,7,7-pentamethyl-1,4-diazepane
- English name
- Hexahydro-1,2,2,7,7-pentamethyl-1H-1,4-diazepine
- Molecular formula
- C10H22N2
- Molecular weight
- 170.3
Names & synonyms
20430-59-51H-1,4-DIAZEPINE, HEXAHYDRO-1,2,2,7,7-PENTAMETHYL-1,4-Diazacycloheptane, 1,2,2,7,7-pentamethyl-DTXSID00174376RefChem:237143DTXCID40968671,2,2,7,7-pentamethyl-1,4-diazepaneHexahydro-1,2,2,7,7-pentamethyl-1H-1,4-diazepineSCHEMBL1616178DB-308107Hexahydro-1,2,2,7,7-pentamethyl -1h-1,4-diazepine
Database identifiers
- CAS
20430-59-5- PubChem CID
- 30155
- DTXSID
DTXSID00174376- Nikkaji
- J72.750D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 46 · 46-48 °C(Press: 0.2 Torr)
- Density
- 0.818 · 0.818±0.06 g/cm3(Predicted)
- pka
- 10.94 · 10.94±0.60(Predicted)
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Related reactions
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Compound notes
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