4-Amino-1,2-naphthoquinone
Basic information
- CAS
5460-35-5- Standard SMILES
NC1=CC(=O)C(=O)c2ccccc21- InChIKey
IGONFFFOEMASIA-UHFFFAOYSA-N- Molecular formula
- C10H7NO2
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.04767847
Names & identifiers
- Preferred name
- 4-Amino-1,2-naphthoquinone
- IUPAC
- 4-aminonaphthalene-1,2-dione
- English name
- 4-Aminonaphthalene-1,2-dione
- Molecular formula
- C10H7NO2
- Molecular weight
- 173.17
Names & synonyms
4-Amino-1,2-naphthoquinone5460-35-54-Amino-1,2-naphthalenedione1,2-Naphthoquinone, 4-amino-R2URY17RR2CCRIS 66731,2-Naphthalenedione, 4-amino-NSC 25028NSC-25028DTXSID60203035RefChem:5173951,2Naphthalenedione, 4amino
Show more names
4-azanylnaphthalene-1,2-dione
DTXCID601255264-aminonaphthalene-1,2-dioneNSC25028CHEMBL608244-Amino-[1,2]naphthoquinoneMLS002639035UNII-R2URY17RR2cid_72908
Database identifiers
- CAS
5460-35-5、93484-98-1- PubChem CID
- 72908
- DTXSID
DTXSID60203035- ChEMBL
CHEMBL60824- UNII
- R2URY17RR2
- Nikkaji
- J81.039H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physicochemical properties
- Melting point
- 295 · 295-298 °C(Solv: N,N-dimethylformamide (68-12-2))
- Boiling point
- 340.9 · 340.9±42.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 3.15 · 3.15±0.20(Predicted)
- FDA UNII
- 2 URY17RR2 · R2URY17RR2
- Comptox DTXSID
- 60203035 · DTXSID60203035
- HS Code
- 2922399090 · 2922399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryCauses changes in renal tubules, changes in spleen weight, and hemolysis in 6-day intermittent oral studies of rats; [RTECS] See See 1,2-Naphthoquinone.
Safety data
- hs_code
- 2922399090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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