1-Propanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-3-(tridecyloxy)-, chloride (1:1)
Basic information
- CAS
68444-16-6- Standard SMILES
CCCCCCCCCCCCCOCCC[N+](C)(CCO)CCO.[Cl-]- InChIKey
OCEJZQODVBRYFB-UHFFFAOYSA-M- Molecular formula
- C21H46ClNO3
- Average molar mass
- 396 g/mol
- Monoisotopic mass
- 395.316622
Names & identifiers
- Preferred name
- 1-Propanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-3-(tridecyloxy)-, chloride (1:1)
- IUPAC
- bis(2-hydroxyethyl)-methyl-(3-tridecoxypropyl)azanium chloride
- English name
- bis(2-hydroxyethyl)methyl-3-(tridecyloxy)propylammonium chloride
- Molecular formula
- C21H46ClNO3
- Molecular weight
- 396.04784
Names & synonyms
68444-16-6EINECS 270-587-8(3-Tridecyloxypropyl)bis(2-hydroxyethyl)methylammonium chlorideDTXSID308874021-Propanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-3-(tridecyloxy)-, chloride (1:1)RefChem:77103DTXCID4010266971-Propanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-3-(tridecyloxy)-, chlorideBis(2-hydroxyethyl)methyl-3-(tridecyloxy)propylammonium chloriden,n-bis(2-hydroxyethyl)-n-methyl-3-(tridecyloxy)propan-1-aminium chlorideOCEJZQODVBRYFB-UHFFFAOYSA-MNS00061588
Database identifiers
- CAS
68444-16-6- PubChem CID
- 110324
- DTXSID
DTXSID30887402- EC Number
- 270-587-8
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Propanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-3-(tridecyloxy)-, chloride (68444-16-6)
- 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.
Hazard information
Regulatory Information
1-Propanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-3-(tridecyloxy)-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-3-(tridecyloxy)-, chloride (1:1): ACTIVE
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Compound notes
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