Registration Dossier
Registration Dossier
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EC number: 265-477-1 | CAS number: 65122-06-7
Reference substances
- IUPAC name:
- 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
Inventory
- EC number:
- 265-477-1
- EC name:
- 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
- CAS number:
- 65122-06-7
- CAS number:
- 65122-06-7
Synonyms
- Names:
- 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino] phenyl]ethenyl]-1,3,3-trimethyl-, acetate
- 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, acetate
- Identifier:
- IUPAC name
- 2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium acetate
- Identifier:
- other: InChl
- 1S/C23H26N3.C2H4O2/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-2(3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
- Identifier:
- other: Molecular formula
- C23H26N3.C2H3O2
- Identifier:
- other: SMILES notation
- CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C
- (E)-2-(4-((2-cyanoethyl)(methyl)amino)styryl)-1,3,3-trimethyl-3H-indolium acetate
Molecular and structural information
- Molecular formula:
- C25H29N3O2
C23H26N3.C2H3O2 - Molecular weight:
- ca. 403.5
- SMILES notation:
- CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-]
- InChl:
- InChI=1/C23H26N3.C2H4O2/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-2(3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
- Structural formula:
Related substances
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