4-Amino-3-nitro-5-beta-hydroxyethylaniline
Basic information
- CAS
104535-30-0- Standard SMILES
Nc1cc(CCO)c(N)c([N+](=O)[O-])c1- InChIKey
FERJJDIFVVTDGQ-UHFFFAOYSA-N- Molecular formula
- C8H11N3O3
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.08004122
Names & identifiers
- Preferred name
- 4-Amino-3-nitro-5-beta-hydroxyethylaniline
- IUPAC
- 2-(2,5-diamino-3-nitrophenyl)ethanol
- English name
- 4-Amino-3-nitro-5-beta-hydroxyethylaniline
- Molecular weight
- 0
Names & synonyms
4-Amino-3-nitro-5-beta-hydroxyethylaniline104535-30-02-(2,5-diamino-3-nitrophenyl)ethanol2-(2,5-diamino-3-nitrophenyl)ethan-1-olCCRIS 8125SCHEMBL9102939DTXSID60146539AKOS006276253
Database identifiers
- CAS
104535-30-0- PubChem CID
- 5488103
- DTXSID
DTXSID60146539- Nikkaji
- J579.782I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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