9-Octadecenoic acid (9Z)-, compd. with 2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazole-1-ethanamine (1:1)
Basic information
- CAS
68310-76-9- Standard SMILES
CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCN.CCCCCCCC/C=C\CCCCCCCC(=O)O- InChIKey
DWRLHVXGIZLRHX-DGNUWDJVSA-N- Molecular formula
- C40H77N3O2
- Average molar mass
- 632.1 g/mol
- Monoisotopic mass
- 631.60157871
Names & identifiers
- Preferred name
- 9-Octadecenoic acid (9Z)-, compd. with 2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazole-1-ethanamine (1:1)
- IUPAC
- 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanamine;(Z)-octadec-9-enoic acid
Names & synonyms
EINECS 269-733-32-Imidazoline, 1-(2-aminoethyl)-2-(8-heptadecenyl), oleate68310-76-9RefChem:108098Oleic acid, compound with 2-(heptadec-8-enyl)-4,5-dihydro-1H-imidazole-1-ethylamine (1:1)
Database identifiers
- CAS
68310-76-9- PubChem CID
- 6437529
- EC Number
- 269-733-3
Properties
Computed structural properties
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 32
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 583
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9-Octadecenoic acid (9Z)-, compd. with 2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazole-1-ethanamine (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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