Basic information
- CAS
167087-57-2- Standard SMILES
CC(N)COc1ccccc1[N+](=O)[O-]- InChIKey
DGTAPLRZBGFPJY-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.08479225
Names & identifiers
- Preferred name
- 1-(2-Nitrophenoxy)-2-propanamine
- IUPAC
- 1-(2-nitrophenoxy)propan-2-amine
Names & synonyms
1-(2-Nitrophenoxy)-2-propanamineSCHEMBL8682230DTXSID2013017101-(2-nitrophenoxy)propan-2-amine167087-57-2
Database identifiers
- CAS
167087-57-2- PubChem CID
- 18972743
- DTXSID
DTXSID201301710
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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