Laurimin
Basic information
- CAS
52513-11-8- Standard SMILES
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1.[Cl-]- InChIKey
JOMDPISNBYPGIK-UHFFFAOYSA-N- Molecular formula
- C24H43ClN2O
- Average molar mass
- 411.1 g/mol
- Monoisotopic mass
- 410.3063917
Names & identifiers
- Preferred name
- Laurimin
- IUPAC
- benzyl-[3-(dodecanoylamino)propyl]-dimethylazanium chloride
- English name
- benzyldimethyl[3-[(1-oxododecyl)amino]propyl]ammonium chloride
- Molecular formula
- C24H43ClN2O
- Molecular weight
- 411.06402
Names & synonyms
Laurimin52513-11-85D0BVX7BJMEINECS 257-983-6(3-Dodecaneamidopropyl)dimethylbenzylammonium chlorideDTXSID80886006Benzenemethanaminium, N,N-dimethyl-N-(3-((1-oxododecyl)amino)propyl)-, chloride (1:1)Benzenemethanaminium, N,N-dimethyl-N-(3-((1-oxododecyl)amino)propyl)-, chlorideBenzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-, chloride (1:1)BENZYL(3-DODECAMIDOPROPYL)DIMETHYLAMMONIUM CHLORIDEN-BENZYL-N,N-DIMETHYL-N-LAURAMIDOPROPYLAMMONIUM CHLORIDEBenzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-, chloride
Show more names
N-Benzyl-N,N-dimethyl-3-(lauroylamino)propan-1-aminium chlor
RefChem:798568DTXCID401025356N-Benzyl-N,N-dimethyl-3-(lauroylamino)-propan-1-aminium chlorideMFCD18089285benzyl-[3-(dodecanoylamino)propyl]-dimethylazanium;chlorideN-Benzyl-N,N-dimethyl-3-(lauroylamino)propan-1-aminium chlorideBENZYLDIMETHYL[3-[(1-OXODODECYL)AMINO]PROPYL]AMMONIUM CHLORIDEUNII-5D0BVX7BJM
Database identifiers
- CAS
52513-11-8- PubChem CID
- 104221
- DTXSID
DTXSID80886006- UNII
- 5D0BVX7BJM
- EC Number
- 257-983-6
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- FDA UNII
- 5 D0BVX7BJM · 5D0BVX7BJM
- EPA Substance Registry System
- 3 · Benzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-, chloride (52513-11-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-, chloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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