3,3'-(9-Octadecenylimino)bis[2-hydroxypropyltrimethylammonium] dichloride
Basic information
- CAS
94133-51-4- Standard SMILES
CCCCCCCC/C=C/CCCCCCCCN(CC(O)C[N+](C)(C)C)CC(O)C[N+](C)(C)C.[Cl-].[Cl-]- InChIKey
YVNSPNABRDHOTB-VRZXRVJBSA-L- Molecular formula
- C30H65Cl2N3O2
- Average molar mass
- 570.8 g/mol
- Monoisotopic mass
- 569.4453837
Names & identifiers
- Preferred name
- 3,3'-(9-Octadecenylimino)bis[2-hydroxypropyltrimethylammonium] dichloride
- IUPAC
- [2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-[(E)-octadec-9-enyl]amino]propyl]-trimethylazanium dichloride
Names & synonyms
94133-51-43,3'-(9-OCTADECENYLIMINO)BIS[2-HYDROXYPROPYLTRIMETHYLAMMONIUM] DICHLORIDEOleamine bishydroxypropyltrimonium chlorideEINECS 302-711-43,3'-(9-Octadecenylimino)bis(2-hydroxy-N,N,N-trimethyl-1-propanam- inium[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-[(E)-octadec-9-enyl]amino]propyl]-trimethylazanium;dichloride1-Propanaminium, 3,3'-(9-octadecenylimino)bis(2-hydroxy-N,N,N-trimethyl-3,3'-(9-Octadecenylimino)bis(2-hydroxypropyltrimethylammonium) dichlorideYVNSPNABRDHOTB-VRZXRVJBSA-L
Database identifiers
- CAS
94133-51-4- PubChem CID
- 44147124
- EC Number
- 302-711-4
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 24
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 473
Experimental & physicochemical properties
CosmeticsHair conditioning; Antistatic
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Hair conditioning; Antistatic
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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