Basic information
- CAS
59411-71-1- Standard SMILES
COc1cc([N+](=O)[O-])c(OC)cc1N1CCOCC1- InChIKey
IMMNPCLCFUZRHP-UHFFFAOYSA-N- Molecular formula
- C12H16N2O5
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.10592162
Names & identifiers
- Preferred name
- 4-(2,5-Dimethoxy-4-nitrophenyl)morpholine
- IUPAC
- 4-(2,5-dimethoxy-4-nitrophenyl)morpholine
- English name
- 4-(2,5-dimethoxy-4-nitrophenyl)morpholine
- Molecular formula
- C12H16N2O5
- Molecular weight
- 268.27
Names & synonyms
4-(2,5-Dimethoxy-4-nitrophenyl)morpholineN-(2,5-Dimethoxy-4-nitrophenyl)morpholineMorpholine, 4-(2,5-dimethoxy-4-nitrophenyl)-EINECS 261-749-99E4Q4WLY55DTXSID6069327RefChem:96990DTXCID4042626261-749-959411-71-1UNII-9E4Q4WLY55SCHEMBL12312118
Show more names
2,5-Dimethoxy-4-morpholino-1-nitrobenzene
IMMNPCLCFUZRHP-UHFFFAOYSA-NSTL289910AKOS01595338871839-07-1DB-294572NS00034160
Database identifiers
- CAS
59411-71-1- PubChem CID
- 101048
- DTXSID
DTXSID6069327- UNII
- 9E4Q4WLY55
- EC Number
- 261-749-9
- Nikkaji
- J24.496A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 458.5 · 458.5±45.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- pka
- 1.24 · 1.24±0.40(Predicted)
- FDA UNII
- 9 E4Q4WLY55 · 9E4Q4WLY55
- EPA Substance Registry System
- 4 · Morpholine, 4-(2,5-dimethoxy-4-nitrophenyl)- (59411-71-1)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMorpholine, 4-(2,5-dimethoxy-4-nitrophenyl)-: INACTIVE
Suppliers3 total
上海和铼生物科技有限公司15721400568 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…