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EC number: 269-924-1 | CAS number: 68391-05-9 This substance is identified by SDA Substance Name: C12-C18 dialkyl dimethyl ammonium chloride and SDA Reporting Number: 16-047-00.
Reference substances
- IUPAC name:
- N-C12-C18(even numbered)-alkyl-N,N-dimethyl-C12-C18(even numbered)-alkyl-1-aminium chloride
Inventory
- EC number:
- 269-924-1
- EC name:
- Quaternary ammonium compounds, di-C12-18-alkyldimethyl, chlorides
- CAS number:
- 68391-05-9
- Description:
- This substance is identified by SDA Substance Name: C12-C18 dialkyl dimethyl ammonium chloride and SDA Reporting Number: 16-047-00.
- CAS number:
- 68391-05-9
Synonyms
- Names:
- Quarternary ammonium compounds, dicoco alkyldimethyl, chlorides
- Identifier:
- IUPAC name
- dimethylditetradecylazanium chloride; Quaternary ammonium compounds, di-C12-18-alkyldimethyl
- Identifier:
- other: Molecular formula
- C30H64ClN
- Identifier:
- other: SMILES notation
- CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]
- Identifier:
- other: InChl
- InChI=1S/C30H64N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1
- Identifier:
- other: SMILES notation
- Not applicable
- Identifier:
- other: Molecular formula
- R2Me2N(+)Cl(-) whereas R = mainly C12-18 (even numbered)
Molecular and structural information
- Molecular formula:
- Substance is an UVCB (representative molecular formula for 2 major constituents: C12-C12 DAQ: C26H56Cl1N1; C18-C18 DAQ: C38H80Cl1N1)
- Molecular weight:
- > 362.09 - < 587
- SMILES notation:
- Substance is an UVCB; representative SMILES for 2 major constituents:
C12-C12 DAQ: [Cl-].CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC
C18-C18 DAQ: [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC - InChl:
- Substance is an UVCB; representative InChI for 2 major constituents:
C12-C12 DAQ: InChI=1S/C26H56N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1
C18-C18 DAQ: InChI=1S/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1 - Structural formula:
Related substances
- Identifier:
- CAS number
- Identity:
- 61789-77-3
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