Basic information
- CAS
136-79-8- Standard SMILES
CCOc1ccc([N+](=O)[O-])cc1N- InChIKey
AMMPGYPPRLWMLW-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914219
Names & identifiers
- Preferred name
- 2-Ethoxy-5-nitrobenzenamine
- IUPAC
- 2-ethoxy-5-nitroaniline
- English name
- 2-Ethoxy-5-nitroaniline
- Molecular formula
- C8H10N2O3
- Molecular weight
- 182.18
Names & synonyms
136-79-85-Nitro-o-phenetidine2-Ethoxy-5-nitrobenzenamineX4P5398Z3HRefChem:10629952-Ethoxy-5-nitroanilineDouxanNeo-douxanBenzenamine, 2-ethoxy-5-nitro-5-nitro-2-ethoxyanilineBRN 2720549UNII-X4P5398Z3H
Show more names
1-Aethoxy-2-amino-4-nitrobenzol [German]4-NITRO-2-AMINOPHENETOLE1-Aethoxy-2-amino-4-nitrobenzol1-Oxy-2-amino-4-nitrobenzol aethyl ether [German]1-Oxy-2-amino-4-nitrobenzol aethyl ethero-Phenetidine, 5-nitro-2-ethoxy-5-nitro-aniline2-ethoxy-5-nitrophenylamine
Database identifiers
- CAS
136-79-8- PubChem CID
- 8702
- DTXSID
DTXSID80870485- ChEMBL
CHEMBL108064- UNII
- X4P5398Z3H
- Nikkaji
- J10.627E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 96.5 °C · 96.5°C
- Boiling point
- 355.56 °C · 355.56°C (rough estimate)
- Density
- 1.2477 · 1.2477 (estimate)
- refractive index
- 1.601 · 1.6010 (estimate)
- pka
- 2.37 · 2.37±0.10(Predicted)
- FDA UNII
- 4 P5398Z3H · X4P5398Z3H
Chemistry & industry
Suppliers3 total
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
上海雷祺生物科技有限公司18621609968 · [email protected]
天津凯芾医药科技有限公司18081075745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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