Registration Dossier
Registration Dossier
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EC number: 261-448-2 | CAS number: 58798-47-3
Reference substances
- IUPAC name:
- 2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium acetate
Inventory
- EC number:
- 261-448-2
- EC name:
- 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate
- CAS number:
- 58798-47-3
- CAS number:
- 58798-47-3
Synonyms
- Names:
- 2-(((4-Methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium acetate
- 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate
- 3H-Indolium, 2-((2-(4-methoxyphenyl)-2-methylhydrazinylidene)methyl)-1,3,3-trimethyl-, acetate (1:1)
- 3H-Indolium, 2-[[(4-methoxyphenyl)methylhydrazono] methyl]-1,3,3-trimethyl-, acetate
- 3H-Indolium, 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-, acetate
- Identifier:
- IUPAC name
- 2-[[(4-Methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate
- Identifier:
- IUPAC name
- 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate
- Identifier:
- other: InChl
- 1S/C20H23N3O.C2H4O2/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-2(3)4/h5-12,14H,13H2,1-4H3;1H3,(H,3,4)
- Identifier:
- other: InChl
- 1S/C20H23N3O.C2H4O2/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-2(3)4/h5-12,14H,13H2,1-4H3;1H3,(H,3,4)
- Identifier:
- other: Molecular formula
- C20H24N3O.C2H3O2
- Identifier:
- other: InChl
- InChI=1/C20H23N3O.C2H4O2/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-2(3)4/h5-12,14H,13H2,1-4H3;1H3,(H,3,4)
- Identifier:
- other: SMILES notation
- [N+]=1(c2ccccc2C(C)(C)C1\C=N\NCc1ccc(cc1)OC)C.C(C)(=O)[O-]
- Identifier:
- other: SMILES notation
- [O-]C(C)=O.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C
Molecular and structural information
- Molecular formula:
- C20H24N3O.C2H3O2
C22H27N3O3 - Molecular weight:
- 381.474
- SMILES notation:
- C2=CC=C1[N+](=C(C(C1=C2)(C)C)C=NN(C)C3=CC=C(C=C3)OC)C.CC([O-])=O
- InChl:
- InChI=1S/C20H24N3O.C2H4O2/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;1-2(3)4/h6-14H,1-5H3;1H3,(H,3,4)/q+1;/p-1
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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