Benzenemethanaminium, N-hexadecyl-N,N-bis(2-hydroxyethyl)-, chloride (1:1)
Basic information
- CAS
65151-47-5- Standard SMILES
CCCCCCCCCCCCCCCC[N+](CCO)(CCO)Cc1ccccc1.[Cl-]- InChIKey
IJPJTMOFXQWFBV-UHFFFAOYSA-M- Molecular formula
- C27H50ClNO2
- Average molar mass
- 456.1 g/mol
- Monoisotopic mass
- 455.3530075
Names & identifiers
- Preferred name
- Benzenemethanaminium, N-hexadecyl-N,N-bis(2-hydroxyethyl)-, chloride (1:1)
- IUPAC
- benzyl-hexadecyl-bis(2-hydroxyethyl)azanium chloride
Names & synonyms
65151-47-5DTXSID90886739Benzenemethanaminium, N-hexadecyl-N,N-bis(2-hydroxyethyl)-, chlorideHexadecylbis(2-hydroxyethyl)benzylammonium chlorideBenzenemethanaminium, N-hexadecyl-N,N-bis(2-hydroxyethyl)-, chloride (1:1)RefChem:117654DTXCID401026061n-benzyl-n,n-bis(2-hydroxyethyl)hexadecan-1-aminium chlorideSCHEMBL25330890IJPJTMOFXQWFBV-UHFFFAOYSA-M
Database identifiers
- CAS
65151-47-5- PubChem CID
- 103273
- DTXSID
DTXSID90886739
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 349
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanaminium, N-hexadecyl-N,N-bis(2-hydroxyethyl)-, chloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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