CAS 105337-21-1 4-[2-(2-Nitrophenoxy)ethyl]morpholine (HCID 867361)

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Basic information

CAS: 105337-21-1
Standard SMILES: O=[N+]([O-])c1ccccc1OCCN1CCOCC1
InChIKey: JWHLEBUFMSMLLB-UHFFFAOYSA-N
Molecular formula: C12H16N2O4
Average molar mass: 252.27 g/mol
Monoisotopic mass: 252.11100699

Names & identifiers

Preferred name: 4-[2-(2-Nitrophenoxy)ethyl]morpholine
IUPAC: 4-[2-(2-nitrophenoxy)ethyl]morpholine
English name: 4-[2-(2-Nitrophenoxy)ethyl]morpholine
Molecular formula: C12H16N2O4
Molecular weight: 252.27

Names & synonyms

4-[2-(2-nitrophenoxy)ethyl]morpholine105337-21-1Morpholine,4-[2-(2-nitrophenoxy)ethyl]-Cambridge id 5473064Oprea1_620176MLS000974673SCHEMBL1852361CHEMBL1589023DTXSID30357756JWHLEBUFMSMLLB-UHFFFAOYSA-NHMS2841E16SMR000496521

Show more names

Morpholine, 4-[2-(2-nitrophenoxy)ethyl]-

DB-117738AB00086228-01SR-01000210085SR-01000210085-1

Database identifiers

CAS: 105337-21-1
PubChem CID: 867361
DTXSID: DTXSID30357756
ChEMBL: CHEMBL1589023

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 67.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 263

Experimental & physicochemical properties

Solubility>37.8 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 44 °C · 44 °C
Boiling point: 410.3 · 410.3±35.0 °C(Predicted)
Density: 1.222 · 1.222±0.06 g/cm3(Predicted)
pka: 6.25 · 6.25±0.10(Predicted)
Signal word: Danger
Hazard statements: 302 · H302-H312-H314-H332
Precautionary statements: 280 · P280-P271-P261-P270-P264-P304-P340-P310-P301-P330-P331-P303-P361-P352-P363-P305-P351-P338-P405-P501
Risk Statements: 20 · 20/21/22-34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3261 · 3261

Safety & regulation

Safety data

ridadr: 3261
risk_code: 20/21/22-34
Signal word: Danger
safety_code: 26-36/37/39
Hazard statements: H302-H312-H314-H332
Precautionary statements: P280-P271-P261-P270-P264-P304-P340-P310-P301-P330-P331-P303-P361-P352-P363-P305-P351-P338-P405-P501