4-(3-Nitrobenzyl)morpholine
Basic information
- CAS
123207-57-8- Standard SMILES
O=[N+]([O-])c1cccc(CN2CCOCC2)c1- InChIKey
MORMTYLSFKKOGP-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- 4-(3-Nitrobenzyl)morpholine
- IUPAC
- 4-[(3-nitrophenyl)methyl]morpholine
- English name
- 4-(3-Nitrobenzyl)morpholine
- Molecular formula
- C11H14N2O3
- Molecular weight
- 222.24
Names & synonyms
4-(3-nitrobenzyl)morpholine123207-57-84-[(3-nitrophenyl)methyl]morpholineMorpholine, 4-[(3-nitrophenyl)methyl]-Cambridge id 5428170Oprea1_265975SCHEMBL357155SCHEMBL30560053DTXSID40354812MORMTYLSFKKOGP-UHFFFAOYSA-NMFCD01653374SBB096307
Show more names
3-[(Morpholin-4-yl)-methyl-]-nitro-benz-ene
AKOS016002643BS-19549DB-041716CS-0206417H57593AB00085169-01EN300-1196748SR-01000209001
Database identifiers
- CAS
123207-57-8- PubChem CID
- 783231
- DTXSID
DTXSID40354812
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 73 °C · 73 °C
- Boiling point
- 346.8 · 346.8±27.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.89 · 5.89±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
35 records
Compound notes
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