Basic information
- CAS
20422-09-7- Standard SMILES
CCCCCCCCCCCCN1CCCCCC1- InChIKey
GUSTUIJJPMXTTI-UHFFFAOYSA-N- Molecular formula
- C18H37N
- Average molar mass
- 267.5 g/mol
- Monoisotopic mass
- 267.29260018
Names & identifiers
- Preferred name
- 1-Dodecylazepane
- IUPAC
- 1-dodecylazepane
- English name
- 1H-Azepine, 1-dodecylhexahydro-
- Molecular formula
- C18H37N
- Molecular weight
- 267.49
Names & synonyms
1-dodecylazepane20422-09-7DTXSID00391849RefChem:230003DTXCID003427101-DODECYL-AZEPANE1-n-dodecylazacycloheptaneSCHEMBL474170GUSTUIJJPMXTTI-UHFFFAOYSA-NAKOS0243313031H-Azepine, 1-dodecylhexahydro-
Database identifiers
- CAS
20422-09-7- PubChem CID
- 3366129
- DTXSID
DTXSID00391849- Nikkaji
- J2.464.009D
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 334.7 · 334.7±10.0 °C(Predicted)
- Density
- 0.841 · 0.841±0.06 g/cm3(Predicted)
- pka
- 9.94 · 9.94±0.20(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
4 records
Compound notes
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