1H-Imidazolium, 4,5-dihydro-1-(2-hydroxyethyl)-2-isoheptadecyl-1-(phenylmethyl)-, chloride (1:1)
Basic information
- CAS
67633-58-3- Standard SMILES
CC(C)CCCCCCCCCCCCCCC1=NCC[N+]1(CCO)Cc1ccccc1.[Cl-]- InChIKey
IZHSCDOXRKNGBC-UHFFFAOYSA-M- Molecular formula
- C29H51ClN2O
- Average molar mass
- 479.2 g/mol
- Monoisotopic mass
- 478.3689919
Overview
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Names & identifiers
- Preferred name
- 1H-Imidazolium, 4,5-dihydro-1-(2-hydroxyethyl)-2-isoheptadecyl-1-(phenylmethyl)-, chloride (1:1)
- IUPAC
- 2-[1-benzyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride
- English name
- 1-benzyl-4,5-dihydro-1-(2-hydroxyethyl)-2-(15-methylhexadecyl)-1H-imidazolium chloride
- Molecular formula
- C29H51ClN2O
- Molecular weight
- 479.19
Names & synonyms
67633-58-32-Isoheptadecyl-1-hydroxyethyl-1-benzylimidazolinium chloride1H-Imidazolium, 4,5-dihydro-1-(2-hydroxyethyl)-2-isoheptadecyl-1-(phenylmethyl)-, chloride1H-Imidazolium, 4,5-dihydro-1-(2-hydroxyethyl)-2-isoheptadecyl-1-(phenylmethyl)-, chloride (1:1)RefChem:43852584625-60-5ISOSTEARYL BENZYLIMIDONIUM CHLORIDE1-Benzyl-4,5-dihydro-1-(2-hydroxyethyl)-2-(15-methylhexadecyl)-1H-imidazolium chlorideC1P094Q60BUNII-C1P094Q60BEINECS 283-429-81-benzyl-1-(2-hydroxyethyl)-2-(15-methylhexadecyl)-4,5-dihydro-1h-imidazol-1-ium chloride
Show more names
SCHEMBL4071097DTXSID20987001IZHSCDOXRKNGBC-UHFFFAOYSA-MNS00060240Q272750661H-IMIDAZOLIUM, 4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-(15-METHYLHEXADECYL)-1-(PHENYLMETHYL)-, CHLORIDE (1:1)
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 484
Experimental & physicochemical properties
CosmeticsAntistatic; Binding
Physicochemical properties
- Cosmetics Ingredients Functions
- BINDINGANTISTATIC
- FDA UNII
- 1 P094Q60B · C1P094Q60B
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Antistatic; Binding
General Manufacturing Information1H-Imidazolium, 4,5-dihydro-1-(2-hydroxyethyl)-2-isoheptadecyl-1-(phenylmethyl)-, chloride (1:1): INACTIVE
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Compound notes
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