1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride
Basic information
- CAS
61413-61-4- Standard SMILES
CCCCCCCCCCCC(=O)OCn1cc[n+](C)c1.[Cl-]- InChIKey
JNKRDWASBNZYHD-UHFFFAOYSA-M- Molecular formula
- C17H31ClN2O2
- Average molar mass
- 330.9 g/mol
- Monoisotopic mass
- 330.2074059
Names & identifiers
- Preferred name
- 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride
- IUPAC
- (3-methylimidazol-3-ium-1-yl)methyl dodecanoate chloride
Names & synonyms
61413-61-4DTXSID809769711-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride1-[(Dodecanoyloxy)methyl]-3-methyl-1H-imidazol-3-ium chlorideRefChem:1053670DTXCID0014043361-((n-Dodecanoyloxy)methyl)-3-methylimidazolinium chlorideNIOSH/NJ5047000NJ504700001-Methyl-3-(hydroxymethyl)imidazolium chloride laurate3-(Dodecanoyloxymethyl)-1-methyl-1H-imidazolium chloride1H-Imidazolium, 3-(hydroxymethyl)-1-methyl-, chloride, dodecanoate
Show more names
2H-IMIDAZOLINIUM, 1-(HYDROXYMETHYL)-3-METHYL-, CHLORIDE, DOCECANOATESCHEMBL2289065SCHEMBL2289068JNKRDWASBNZYHD-UHFFFAOYSA-M1-n-DODECANOYLOXYMETHYL-3-METHYLIMIDAZOLIUM CHLORIDE
Database identifiers
- CAS
61413-61-4- PubChem CID
- 43638
- DTXSID
DTXSID80976971
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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