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Basic information
- CAS
85-82-5- Standard SMILES
Cc1ccc(C)c(N=Nc2c(O)ccc3ccccc23)c1- InChIKey
VUSAIZBVVMZCCH-UHFFFAOYSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- 1-[2-(2,5-Dimethylphenyl)diazenyl]-2-naphthalenol
- IUPAC
- 1-[(2,5-dimethylphenyl)diazenyl]naphthalen-2-ol
- English name
- 1-(2,5-xylylazo)-2-naphthol
- Molecular formula
- C18H16N2O
- Molecular weight
- 276.33
Names & synonyms
85-82-51-[2-(2,5-Dimethylphenyl)diazenyl]-2-naphthalenol1-(2-(2,5-Dimethylphenyl)diazenyl)-2-naphthalenolRefChem:1969021-(2,5-Xylylazo)-2-naphthol2-NAPHTHOL, 1-(2,5-XYLYLAZO)-29F6P7OZ4JCCRIS 56981-((2,5-Dimethylphenyl)azo)-2-Naphthalenol1-[(2,5-Dimethylphenyl)azo]-2-naphthalenolEINECS 201-634-2BRN 0919875
Show more names
FD&CREDNO322-Naphthalenol, 1-[2-(2,5-dimethylphenyl)diazenyl]-
UNII-29F6P7OZ4J2-Naphthalenol, 1-((2,5-dimethylphenyl)azo)-4-16-00-00234 (Beilstein Handbook Reference)SCHEMBL4750596SCHEMBL28912128CHEBI:138774VUSAIZBVVMZCCH-UHFFFAOYSA-NDTXSID001033854
Database identifiers
- CAS
85-82-5- PubChem CID
- 6823
- DTXSID
DTXSID001033854- ChEBI
CHEBI:138774- UNII
- 29F6P7OZ4J
- EC Number
- 201-634-2
- Nikkaji
- J4.927A
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Melting point
- 153 °C · 153°C
- Boiling point
- 419.24 °C · 419.24°C (rough estimate)
- Density
- 1.1318 · 1.1318 (rough estimate)
- refractive index
- 1.615 · 1.6150 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 29 F6P7OZ4J · 29F6P7OZ4J
Chemistry & industry
Additional notes
DefinitionChEBI: 1-[(E)-(2,5-dimethylphenyl)diazenyl]-2-naphthol is a member of naphthols.
Related reactions
0 records
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Compound notes
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