Registration Dossier
Registration Dossier
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EC number: 278-585-9 | CAS number: 76994-37-1
Reference substances
- IUPAC name:
- N-(4-{[4-(diethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium acetate
Inventory
- EC number:
- 278-585-9
- EC name:
- [4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetate
- CAS number:
- 76994-37-1
- CAS number:
- 76994-37-1
Synonyms
- Names:
- Ethanaminium, N-[4-[[4-(diethylamino)phenyl] phenylmethylene]-2,5-cyclohexadien-1-ylidene ]-N-ethyl-, acetate
- Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, acetate
- Identifier:
- IUPAC name
- 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium acetate
- Identifier:
- other: InChl
- 1S/C27H33N2.C2H4O2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-2(3)4/h9-21H,5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
- Identifier:
- other: Molecular formula
- C29H36N2O2
- Identifier:
- other: SMILES notation
- [N+](=C1\C=C\C(C=C1)=C(\c1ccccc1)c1ccc(cc1)N(CC)CC)(\CC)CC.C(C)(=O)[O-]
Molecular and structural information
- Molecular formula:
- C27H33N2.C2H3O2
- Molecular weight:
- 444.608
- SMILES notation:
- CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.CC(=O)[O-]
- InChl:
- InChI=1/C27H33N2.C2H4O2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-2(3)4/h9-21H,5-8H2,1-4H3;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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