Ethanol, 2-(((2-methoxy-5-nitrophenyl)methyl)amino)-
Basic information
- CAS
61361-61-3- Standard SMILES
COc1ccc([N+](=O)[O-])cc1CNCCO- InChIKey
ZMEJPNWTFNLTGG-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- Ethanol, 2-(((2-methoxy-5-nitrophenyl)methyl)amino)-
- IUPAC
- 2-[(2-methoxy-5-nitrophenyl)methylamino]ethanol
- English name
- 2-[[(2-Methoxy-5-nitrophenyl)methyl]amino]ethanol
- Molecular formula
- C10H14N2O4
- Molecular weight
- 226.23
Names & synonyms
61361-61-3ETHANOL, 2-(((2-METHOXY-5-NITROPHENYL)METHYL)AMINO)-DTXSID50210278Benzylamine N-[2-hydroxyethyl]-2-methoxy-5-nitro-Benzylamine N-(2-hydroxyethyl)-2-methoxy-5-nitro-RefChem:340732DTXCID50132769ZMEJPNWTFNLTGG-UHFFFAOYSA-N2-[(2-methoxy-5-nitrophenyl)methylamino]ethanol2-(((2-Methoxy-5-nitrophenyl)methyl)amino)ethanolN-(2-Hydroxyethyl)aminomethyl-4-methoxynitrobenzene2-{[(2-methoxy-5-nitrophenyl)methyl]amino}ethan-1-ol
Show more names
Ethanol, 2-[[(2-methoxy-5-nitrophenyl)methyl]amino]-
2-[[(2-Methoxy-5-nitrophenyl)methyl]amino]ethanolCBKinase1_005188CBKinase1_017588AKOS003810249DB-292440ST451131812-[(2-Methoxy-5-nitrobenzyl)amino]ethanol #2-[[(2-Methoxy-5-nitrophenyl)methyl ]amino]ethanol
Database identifiers
- CAS
61361-61-3- PubChem CID
- 43625
- DTXSID
DTXSID50210278- Nikkaji
- J78.154A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 414.2 · 414.2±35.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 14.71 · 14.71±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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