Registration Dossier
Registration Dossier
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EC number: 800-153-0 | CAS number: 1313206-64-2
Reference substances
- IUPAC name:
- Amines,N-(C16-18 and C18 unsaturated alkyl) trimethylenedi-,diacetates.
Inventory
Synonyms
- Names:
- Identifier:
- other: Molecular formula
- R-NH2+ -(CH2)3-NH3+, (CH3 COO-)2 where R = C18-alkyl
- Identifier:
- other: SMILES notation
- not applicable
- Identifier:
- other: InChl
- not applicable
Molecular and structural information
- Molecular formula:
- R-NH2+ -(CH2)3-NH3+, (CH3 COO-)2 where R = C16-18 and C18-unsat alkyl
- Molecular weight:
- > 327 - < 447
- SMILES notation:
- C16 diaminum,diacetate
[O-]C(C)=O.[O-]C(C)=O.CCCCCCCCCCCCCCCC[NH2+]CCC[NH3+]
C18 diaminum,diacetate
[O-]C(C)=O.[O-]C(C)=O.CCCCCCCCCCCCCCCCCC[NH2+]CCC[NH3+]
C18 unsat diaminum,diacetate
[O-]C(C)=O.[O-]C(C)=O.CCCCCCCC\C=C/CCCCCCCC[NH2+]CCC[NH3+] - InChl:
- C16 diaminum,diacetate
InChI=1S/C19H42N2.2C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20;2*1-2(3)4/h21H,2-20H2,1H3;2*1H3,(H,3,4)
C18 diaminum,diacetate
InChI=1S/C21H46N2.2C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;2*1-2(3)4/h23H,2-22H2,1H3;2*1H3,(H,3,4)
C18 unsat diaminum,diacetate
InChI=1S/C21H44N2.2C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;2*1-2(3)4/h9-10,23H,2-8,11-22H2,1H3;2*1H3,(H,3,4)/b10-9-;; - Structural formula:
Related substances
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