Basic information
- CAS
72479-91-5- Standard SMILES
C1CCC(NC2CCCCC2)CC1.CCCCNCCCC.Cc1nn(-c2ccc(S(=O)(=O)[O-])cc2)c([O-])c1N=Nc1ccccc1C(=O)[O-].Cc1nn(-c2ccc(S(=O)(=O)[O-])cc2)c([O-])c1N=Nc1ccccc1C(=O)[O-].[Cr+3].[H+].[H+].[H+]- InChIKey
RYAITQYWGNYISA-UHFFFAOYSA-K- Molecular formula
- C54H67CrN10O12S2
- Average molar mass
- 1,164.3 g/mol
Overview
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Names & identifiers
- Preferred name
- N-butylbutan-1-amine;chromium(3+);N-cyclohexylcyclohexanamine;hydron;bis(2-[[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate)
- IUPAC
- N-butylbutan-1-amine;chromium(3+);N-cyclohexylcyclohexanamine;hydron;bis(2-[[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate)
- English name
- Solvent Yellow 13
- Molecular formula
- C54H65CrN10O12S2(-2)
- Molecular weight
- 1162.29
Names & synonyms
72479-91-5N-butylbutan-1-amine;chromium(3+);N-cyclohexylcyclohexanamine;hydron;2-[[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoateC.I. 118215C.I. Solvent Yellow 13Chromate(3-), bis[2-[[4,5-dihydro-3-methyl- 5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]benzoato (3-)]-, trihydrogen, compds. with N-butyl-1-butanamine and N-cyclohexylcyclohexanamine
Database identifiers
- CAS
72479-91-5- PubChem CID
- 175070
Properties
Computed structural properties
- Topological polar surface area
- 367 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 14
- Heavy atoms
- 79
- Formal charge
- 0
- Complexity
- 823
Physicochemical properties
- EPA Substance Registry System
- 3 · Chromate(3-), bis[2-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo-.kappa.N1]benzoato(3-)-.kappa.O]-, trihydrogen, compd. with N-butyl-1-butanamine and N-cyclohexylcyclohexanamine (72479-91-5)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationChromate(3-), bis[2-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl-.kappa.N1]benzoato(3-)-.kappa.O]-, hydrogen, compd. with N-butyl-1-butanamine and N-cyclohexylcyclohexanamine (1:3:?:?): ACTIVE
Suppliers1 total
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Related reactions
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Compound notes
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