Octadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized
Basic information
- CAS
90459-62-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)O.COS(=O)(=O)OC.NCCNCCN- InChIKey
UJFSWJLSSGTISR-UHFFFAOYSA-N- Molecular formula
- C24H55N3O6S
- Average molar mass
- 513.8 g/mol
- Monoisotopic mass
- 513.38115766
Names & identifiers
- Preferred name
- Octadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized
- IUPAC
- N'-(2-aminoethyl)ethane-1,2-diamine;dimethyl sulfate;octadecanoic acid
Names & synonyms
EINECS 291-707-5RefChem:167683DTXSID901011946291-707-5UJFSWJLSSGTISR-UHFFFAOYSA-N
Database identifiers
- CAS
90459-62-4- PubChem CID
- 163589
- EC Number
- 291-707-5
Properties
Computed structural properties
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
UVCBUVCB -> EPA TSCA
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
H315 (93%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 114 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Octadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized (EC: 291-707-5)
Hazard Classes and CategoriesSkin Irrit. 2 (93%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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