Basic information
- CAS
115682-09-2- Standard SMILES
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1- InChIKey
VXKCGGYPMLXZKG-UHFFFAOYSA-N- Molecular formula
- C17H21N3O2
- Average molar mass
- 299.37 g/mol
- Monoisotopic mass
- 299.16337691
Names & identifiers
- Preferred name
- C.I. Reactive Blue 231
- IUPAC
- N'-(adamantane-1-carbonyl)pyridine-4-carbohydrazide
- English name
- Reactive Blue 231
- Molecular weight
- 0
Names & synonyms
115682-09-2RefChem:572632C.I. Reactive Blue 231DTXSID801061205601-376-4reactive blue 231N'-(adamantane-1-carbonyl)pyridine-4-carbohydrazide71458-51-0115682-08-1N'-(1-Adamantylcarbonyl)pyridine-4-CarbohydrazideSupradamal4mgv
Show more names
Dinafix Blue BGFTurquoise Blue BGFReactive Turquoise KM-GBMeactive Turquoise Blue BGFBritactive Turquoise Blue FGTriactive Turquoise Blue S-GF.Sumifix Supra Turquoise Blue BGFMonaryl Supra Turquoise Blue BGF
NSC322038SRA/4aMLS000912099orb1737723CHEMBL1606228DTXSID90317912VXKCGGYPMLXZKG-UHFFFAOYSA-NGLXC-22890
Database identifiers
- CAS
115682-09-2、71458-51-0- PubChem CID
- 331252
- DTXSID
DTXSID90317912- ChEMBL
CHEMBL1606228- EC Number
- 601-376-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 429
Experimental & physicochemical properties
Solubility25.7 [ug/mL] (The mean of the results at pH 7.4)
Safety & regulation
Hazard information
Regulatory InformationC.I. Reactive Blue 231: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Preparation methods
PreparationCopper phthalocyanine use chlorosulfonic and chlorinated and sulfones chlorosulfonated, with four ammonia, with N-Acetylethylenediaminefirst condensation, hydrolysis,2-(4-Aminophenylsulfonyl)ethyl hydrogen sulfate and 2,4,6-Trichloro-1,3,5-triazine second condensation, and hydrolysis product third condensation, and then salting-out.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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