1-Dodecyl-4,5-dihydro-1h-imidazole acetate(1:1)
Basic information
- CAS
6345-49-9- Standard SMILES
CC(=O)O.CCCCCCCCCCCCN1C=NCC1- InChIKey
PZHYMFDAWHVARB-UHFFFAOYSA-N- Molecular formula
- C17H34N2O2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.26202833
Names & identifiers
- Preferred name
- 1-Dodecyl-4,5-dihydro-1h-imidazole acetate(1:1)
- IUPAC
- acetic acid;1-dodecyl-4,5-dihydroimidazole
Names & synonyms
6345-49-91-dodecyl-4,5-dihydro-1h-imidazole acetate(1:1)NSC44355DTXSID30286239NSC-44355Acetic acid--1-dodecyl-4,5-dihydro-1H-imidazole (1/1)
Database identifiers
- CAS
6345-49-9- PubChem CID
- 239363
- DTXSID
DTXSID30286239
Properties
Computed structural properties
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 220
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Compound notes
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