9-Octadecen-1-one, 1-(4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl)-, (9Z)-, phosphate (1:1)
Basic information
- CAS
68938-78-3- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)C1=NCCN1CCO.O=P(O)(O)O- InChIKey
BBPOSHDMAXJRFI-KVVVOXFISA-N- Molecular formula
- C23H45N2O6P
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.30152416
Names & identifiers
- Preferred name
- 9-Octadecen-1-one, 1-(4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl)-, (9Z)-, phosphate (1:1)
- IUPAC
- (Z)-1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]octadec-9-en-1-one;phosphoric acid
- English name
- (Z)-1-[4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl]octadec-9-en-1-one phosphate
- Molecular formula
- C23H45N2O6P
- Molecular weight
- 476.586961
Names & synonyms
68938-78-3EINECS 273-144-79-Octadecen-1-one, 1-(4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl)-, (9Z)-, phosphate (1:1)9-Octadecen-1-one, 1-(4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl)-, (9Z)-, phosphate (1:1) (salt)9-Octadecen-1-one, 1-[4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl]-, (9Z)-, phosphate (1:1)RefChem:108071(Z)-1-(4,5-Dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl)octadec-9-en-1-one phosphateBBPOSHDMAXJRFI-KVVVOXFISA-NDTXSID201341071NS00063204(9Z)-1-[1-(2-Hydroxyethyl)-4,5-dihydro-1H-imidazol-2-yl]octadec-9-en-1-one phosphate (1:1)(Z)-1-[4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl]octadec-9-en-1-one phosphate
Database identifiers
- CAS
68938-78-3- PubChem CID
- 6437705
- DTXSID
DTXSID201341071- EC Number
- 273-144-7
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- EPA Substance Registry System
- 9 · 9-Octadecen-1-one, 1-[4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl]-, (9Z)-, phosphate (1:1) (salt) (68938-78-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9-Octadecen-1-one, 1-[4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl]-, (9Z)-, phosphate (1:1): INACTIVE
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Compound notes
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