Basic information
- CAS
2972-58-9- Standard SMILES
Cc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2ccc(C(N)=O)cc2)c1O- InChIKey
HDMHBRVDJGULBL-UHFFFAOYSA-N- Molecular formula
- C25H20N4O3
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.15354051
Names & identifiers
- Preferred name
- 4-(2-(4-(Aminocarbonyl)phenyl)diazenyl)-3-hydroxy-N-(2-methylphenyl)-2-naphthalenecarboxamide
- IUPAC
- 4-[(4-carbamoylphenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
- English name
- 4-[[4-(aminocarbonyl)phenyl]azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
- Molecular formula
- C25H20N4O3
- Molecular weight
- 424.45
Names & synonyms
2972-58-94-[2-[4-(Aminocarbonyl)phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)-2-naphthalenecarboxamide4-(2-(4-(Aminocarbonyl)phenyl)diazenyl)-3-hydroxy-N-(2-methylphenyl)-2-naphthalenecarboxamideRefChem:287001EINECS 221-010-34-((4-(Aminocarbonyl)phenyl)azo)-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamideHDMHBRVDJGULBL-UHFFFAOYSA-NDTXSID301118900NS000492324-[(4-Carbamoylphenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide4-[[4-(Aminocarbonyl)phenyl]azo]-3-hydroxy-N-(2-methylphenyl)-2-naphthalenecarboxamide4-[[4-(aminocarbonyl)phenyl]azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
Database identifiers
- CAS
2972-58-9- PubChem CID
- 76304
- DTXSID
DTXSID301118900- EC Number
- 221-010-3
- Nikkaji
- J306.890K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 691
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 635.732 · 635.732±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.316 · 1.316±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.056 · 12.056±0.70(predicted)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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