1-Hexadecanol, 1-(hydrogen sulfate), compd. with N,N-diethylcyclohexanamine (1:1)
Basic information
- CAS
65151-49-7- Standard SMILES
CCCCCCCCCCCCCCCCOS(=O)(=O)O.CCN(CC)C1CCCCC1- InChIKey
BPPOEFRYEQSTKL-UHFFFAOYSA-N- Molecular formula
- C26H55NO4S
- Average molar mass
- 477.8 g/mol
- Monoisotopic mass
- 477.38518041
Names & identifiers
- Preferred name
- 1-Hexadecanol, 1-(hydrogen sulfate), compd. with N,N-diethylcyclohexanamine (1:1)
- IUPAC
- N,N-diethylcyclohexanamine;hexadecyl hydrogen sulfate
Names & synonyms
Cyclohexyldiethylammonium hexadecyl sulphateDTXSID3070258EINECS 265-538-2Hexadecyl sulfate (1:1), N,N-diethylcyclohexylamine saltRefChem:75891DTXCID4044533265-538-2BPPOEFRYEQSTKL-UHFFFAOYSA-N1-Hexadecanol, 1-(hydrogen sulfate), compd. with N,N-diethylcyclohexanamineHexadecyl hydrogen sulfate--N,N-diethylcyclohexanamine (1/1)
Database identifiers
- CAS
65151-49-7- PubChem CID
- 103277
- DTXSID
DTXSID3070258- EC Number
- 265-538-2
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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