Basic information
- CAS
13115-28-1- Standard SMILES
Nc1cc2ccccc2cc1[N+](=O)[O-]- InChIKey
ZAXOISFBCDOZER-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- 3-Nitronaphthalen-2-amine
- IUPAC
- 3-nitronaphthalen-2-amine
- English name
- 3-NITRO-2-NAPHTHYLAMINE
- Molecular formula
- C10H8N2O2
- Molecular weight
- 188.18
Names & synonyms
3-nitronaphthalen-2-amine3-Nitro-2-naphthylamine13115-28-12-Amino-3-nitronaphthalene2-NAPHTHYLAMINE, 3-NITRO-BRN 21031853-nitro-2-naphthalenamine2-Naphthalenamine, 3-nitro-9AQ5CXG6T2Nitro-2-naphthylamine, 3-4-12-00-03185 (Beilstein Handbook Reference)CHEMBL84041
Show more names
SCHEMBL8686891naphthalene, 2-amino-3-nitro-SCHEMBL10347267DTXSID60156916MFCD00046483SBB090758AKOS006272349SY509894
Database identifiers
- CAS
13115-28-1- PubChem CID
- 25714
- DTXSID
DTXSID60156916- ChEMBL
CHEMBL84041- UNII
- 9AQ5CXG6T2
- Nikkaji
- J34.582B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 115.5 °C · 115.5°C
- Boiling point
- 323.18 °C · 323.18°C (rough estimate)
- Density
- 1.2577 · 1.2577 (rough estimate)
- refractive index
- 1.591 · 1.5910 (estimate)
- pka
- 1.19 · 1.19±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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