Registration Dossier
Registration Dossier
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EC number: 939-350-2 | CAS number: 85409-22-9
Reference substances
- IUPAC name:
- Benzyl-C12-14-alkyldimethylammonium chlorides
Inventory
Synonyms
- Names:
- Benzyl-C12-14-alkyldimethylammonium chlorides
- Identifier:
- CAS number
- n/a
- Identifier:
- EC name
- Benzyl-C12-14-alkyldimethylammonium chlorides; EC number: 939-350-2
- Identifier:
- IUPAC name
- Benzyl-C12-14-alkyldimethylammonium chlorides
- Identifier:
- other: Molecular formula
- C11H18(CH2)nN.Cl with n=10-12
- Identifier:
- other: Molecular formula
- C21 H38 CL1 N1
- Identifier:
- other: Molecular formula
- C9H13NRCl where R = C12H25, C14H29
- Identifier:
- other: Chemical name
- Quaternary ammonium compounds, benzyl-C12-14 (even-numbered)-alkyldimethyl, chlorides
- Identifier:
- other: SMILES notation
- c1ccccc1CN(CL)(CCCCCCCCCCCC)(C)(C)
- Identifier:
- other: Molecular formula
- not applicable UVCB
- Identifier:
- other: SMILES notation
- not applicable UVCB
Molecular and structural information
- Molecular formula:
- Representative molecular formula of the major carbon chains:
C12 ADBAC: C21H38Cl1N1
C14 ADBAC: C23H42Cl1N1 - Molecular weight:
- ca. 340
- SMILES notation:
- Representative SMILES of the major carbon chains:
C12 ADBAC: [Cl-].CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
C14 ADBAC: [Cl-].CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 - InChl:
- Representative SMILES of the major carbon chains:
C12 ADBAC: InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
C14 ADBAC: InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1 - Structural formula:
Related substances
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