Basic information
- CAS
104872-46-0- Standard SMILES
CCCCCCCCCCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCCCCCCCCCC.[Cl-]- InChIKey
RLKJVRDMIQCNGX-UHFFFAOYSA-M- Molecular formula
- C38H80ClNO2
- Average molar mass
- 618.5 g/mol
- Monoisotopic mass
- 617.5877585
Overview
structure given in first source; RN refers to (+-)-isomer; enhances adjuvant effect of liposomes on encapsulated tetanus toxoid; text uses as name 1,2-bis(hexadecylcycloxy)-3-trimethylaminopropane, but structure does not reflect cyclic oxide
Names & identifiers
- Preferred name
- 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane
- IUPAC
- 2,3-dihexadecoxypropyl(trimethyl)azanium chloride
- English name
- 1,2-bis(hexadecyloxy)-3-trimethylaminopropane
- Molecular weight
- 0
Names & synonyms
104872-46-01,2-Bis(hexadecyloxy)-3-trimethylaminopropaneRefChem:71738Bishop138797-39-4SCHEMBL1773357DTXSID909092552,3-bis(hexadecyloxy)-N,N,N-trimethylpropan-1-aminium chloride
Database identifiers
- CAS
104872-46-0- PubChem CID
- 128697
- DTXSID
DTXSID90909255
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 35
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 475
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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