N-(2-carboxyethyl)-N-dodecyl-beta-alanine
Basic information
- CAS
17066-08-9- Standard SMILES
CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O- InChIKey
XYYUAOIALFMRGY-UHFFFAOYSA-N- Molecular formula
- C18H35NO4
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.2566086
Overview
deriphat 160c is synonymous to mono-Na salt & deriphat 160 is synonymous to di-Na salt; RN given refers to (beta)-isomer
Names & identifiers
- Preferred name
- N-(2-carboxyethyl)-N-dodecyl-beta-alanine
- IUPAC
- 3-[2-carboxyethyl(dodecyl)amino]propanoic acid
- English name
- N-(2-carboxyethyl)-N-dodecyl-beta-alanine
- Molecular formula
- C18H35NO4
- Molecular weight
- 329.47
Names & synonyms
17066-08-9N-(2-Carboxyethyl)-N-dodecyl-beta-alaninen-lauryl iminodipropionateG6L51RHM7ERefChem:830206N-lauryl iminodipropionate, sodium salt, (beta)-N-lauryl iminodipropionate, monosodium salt, (beta)-241-127-3Deriphatlauriminodipropionic acid3,3'-(Dodecylazanediyl)dipropanoic acid3-[2-carboxyethyl(dodecyl)amino]propanoic acid
Show more names
DK576DKSI116DKFELEX01433,3'-(Dodecylimino)bispropanoic acidN-(2-carboxyethyl)-N-dodecyl-β-alanine
EINECS 241-127-3MFCD000722953-[(2-carboxyethyl)(dodecyl)amino]propanoic acid3,3'-(dodecylazanediyl)dipropionic acidN-Dodecyl-N,N-bis(2-carboxyethyl)amineb-Alanine,N-(2-carboxyethyl)-N-dodecyl-UNII-G6L51RHM7EPropionic acid, 3,3'-(dodecylimino)di-
Database identifiers
- CAS
17066-08-9- PubChem CID
- 19295
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 289
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Lauriminodipropionic Acid) -> CIR (Cosmetic Ingredient Review)
Physicochemical properties
- Boiling point
- 481.6 · 481.6±30.0 °C(Predicted)
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- pka
- 3.32 · 3.32±0.14(Predicted)
- FDA UNII
- 6 L51RHM7E · G6L51RHM7E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Lauriminodipropionic Acid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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