Sodium (Z)-N-9-octadecyl-beta-alaninate
Basic information
- CAS
60884-97-1- Standard SMILES
CCCCCCCCCC(CCCCCCCC)NCCC(=O)[O-].[Na+]- InChIKey
DXBSKNAPWLMHGG-UHFFFAOYSA-M- Molecular formula
- C21H42NNaO2
- Average molar mass
- 363.6 g/mol
- Monoisotopic mass
- 363.31132386
Names & identifiers
- Preferred name
- Sodium (Z)-N-9-octadecyl-beta-alaninate
- IUPAC
- sodium 3-(octadecan-9-ylamino)propanoate
- English name
- sodium (Z)-N-9-octadecyl-beta-alaninate
- Molecular formula
- C21H41NO2.Na
- Molecular weight
- 362.55
Names & synonyms
Sodium (Z)-N-9-octadecyl-beta-alaninate60884-97-1EINECS 262-515-9beta-Alanine, N-9-octadecenyl-, monosodium salt, (Z)-RefChem:380600262-515-9DTXSID70976364DXBSKNAPWLMHGG-UHFFFAOYSA-MNS00125090Sodium 3-[(octadecan-9-yl)amino]propanoateOleylaminopropionic acid,sodium saltOleylaminopropionic acid, sodium salt
Show more names
N-[(Z)-9-Octadecenyl]-β-alanine sodium saltn-9-octadecenyl-, monosodium salt, (z)-beta-alanin
Database identifiers
- CAS
60884-97-1- PubChem CID
- 23690107
- DTXSID
DTXSID70976364- EC Number
- 262-515-9
Properties
Computed structural properties
- Topological polar surface area
- 52.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 275
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: .beta.-Alanine, N-9-octadecenyl-, monosodium salt, (Z)-
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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