4-(4-Aminophenyl)morpholin-3-one - CAS 438056-69-0
Catalog: |
BB025466 |
Product Name: |
4-(4-Aminophenyl)morpholin-3-one |
CAS: |
438056-69-0 |
Synonyms: |
4-(4-Aminophenyl)-3-morpholinone; 3-Morpholinone, 4-(4-aminophenyl)-; 4-(3-Oxo-4-morpholinyl)aniline; N-4-Aminophenylmorpholin-3-one |
IUPAC Name: | 4-(4-aminophenyl)morpholin-3-one |
Description: | 4-(4-Aminophenyl)morpholin-3-one is an impurity of Rivaroxaban, a factor Xa (FXa) inhibitor used for the prevention and treatment of thromboembolic disorders. |
Molecular Weight: | 192.21 |
Molecular Formula: | C10H12N2O2 |
Canonical SMILES: | C1COCC(=O)N1C2=CC=C(C=C2)N |
InChI: | InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2 |
InChI Key: | MHCRLDZZHOVFEE-UHFFFAOYSA-N |
Boiling Point: | 502.3±45.0°C at 760 mmHg |
Melting Point: | 118-120°C |
Purity: | ≥95% |
Density: | 1.268±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly, Heated) |
Appearance: | White to Light Brown Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD08236742 |
LogP: | 1.27820 |
GHS Hazard Statement: | H315 (24%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111675705-A | Preparation method of 4- (4-aminophenyl) morpholine-3-one derivative | 20200811 |
CN-111855836-A | Method for determining potential genotoxic impurities in rivaroxaban by high performance liquid chromatography | 20200615 |
CN-111721858-A | Method for determining genotoxic impurities in rivaroxaban | 20200603 |
CN-111253383-A | Synthetic method of rivaroxaban | 20200327 |
CN-111393428-A | Method for preparing rivaroxaban impurity | 20200327 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.089877630 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.089877630 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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