2-Aminomethyl-4-(4-fluorobenzyl)morpholine - CAS 112914-13-3
Catalog: |
BB003076 |
Product Name: |
2-Aminomethyl-4-(4-fluorobenzyl)morpholine |
CAS: |
112914-13-3 |
Synonyms: |
4-[(4-Fluorophenyl)methyl]-2-morpholinemethanamine; 1-[4-(4-Fluorobenzyl)-2-morpholinyl]methanamine; 1-[4-(4-Fluorobenzyl)morpholin-2-yl]methanamine; 2-Morpholinemethanamine, 4-[(4-fluorophenyl)methyl]- |
Application: |
Mosapride intermediate. |
IUPAC Name: | [4-[(4-fluorophenyl)methyl]morpholin-2-yl]methanamine |
Description: | 2-Aminomethyl-4-(4-fluorobenzyl)morpholine is an intermediate of Mosapride, which is a selective agonist of 5-HT4 receptor, could be used as an astroprokinetic agent. It is also found to be a 5-HT3 receptor antagonist. |
Molecular Weight: | 224.27 |
Molecular Formula: | C12H17FN2O |
Canonical SMILES: | C1COC(CN1CC2=CC=C(C=C2)F)CN |
InChI: | InChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)8-15-5-6-16-12(7-14)9-15/h1-4,12H,5-9,14H2 |
InChI Key: | JHSPPBBJOLKJDH-UHFFFAOYSA-N |
Boiling Point: | 317.4±27.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.145±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow to Light Yellow Oily Matter |
Storage: | Store at 2-8°C |
MDL: | MFCD06658145 |
LogP: | 1.62340 |
Publication Number | Title | Priority Date |
CN-112225708-A | Preparation method of mosapride intermediate | 20201214 |
CN-112225708-B | Preparation method of mosapride intermediate | 20201214 |
CN-112209895-A | Preparation method of mosapride citrate impurity | 20201016 |
CN-113214181-A | New preparation method of mosapride | 20200121 |
KR-20200099016-A | Methods for preparing mosapride citrate hydrate and pharmaceutical composition comprising the same | 20190213 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.13249133 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.13249133 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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