Basic information
- CAS
1325-23-1- Standard SMILES
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccccc1.NC1CCCCC1- InChIKey
COUPNJWCMRPOEI-UHFFFAOYSA-N- Molecular formula
- C22H27N5O4S
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.17837553
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-, compd. with cyclohexanamine (1:1)
- IUPAC
- cyclohexanamine;4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid
Names & synonyms
DTXSID7088491016485-32-8RefChem:117967DTXCID3010243294-{3-methyl-5-oxo-4-[(e)-phenyldiazenyl]-4,5-dihydro-1h-pyrazol-1-yl}benzenesulfonic acid- cyclohexanamine(1:1)DTXSID102758281325-23-14-[3-Methyl-5-oxo-4-(phenyldiazenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonic acid--cyclohexanamine (1/1)4-{3-Methyl-5-oxo-4-[(E)-phenyldiazenyl]-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid--cyclohexanamine (1/1)
Database identifiers
- CAS
1325-23-1、16485-32-8- PubChem CID
- 86009
- DTXSID
DTXSID70884910
Properties
Computed structural properties
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 702
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, compd. with cyclohexanamine (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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