4-Benzyl-2-(hydroxymethyl)morpholine - CAS 40987-24-4
Catalog: |
BB024738 |
Product Name: |
4-Benzyl-2-(hydroxymethyl)morpholine |
CAS: |
40987-24-4 |
Synonyms: |
[4-(phenylmethyl)-2-morpholinyl]methanol; (4-benzylmorpholin-2-yl)methanol |
IUPAC Name: | (4-benzylmorpholin-2-yl)methanol |
Description: | Intermediate in the preparation of various antidepressants and protein kinase inhibitors. |
Molecular Weight: | 207.27 |
Molecular Formula: | C12H17NO2 |
Canonical SMILES: | C1COC(CN1CC2=CC=CC=C2)CO |
InChI: | InChI=1S/C12H17NO2/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2 |
InChI Key: | WQNIKIMRIXHNFF-UHFFFAOYSA-N |
Boiling Point: | 303.2 °C at 760 mmHg |
Density: | 1.117 g/cm3 |
Appearance: | Colorless liquid |
LogP: | 0.81760 |
Publication Number | Title | Priority Date |
WO-2021115413-A1 | Neuromuscular-blocking drug and preparation method therefor | 20191211 |
EP-3053923-A1 | Novel triazolopyrazine derivative and use thereof | 20130930 |
EP-3053923-B1 | Triazolopyrazine derivatives as tyrosin kinase inhibitors | 20130930 |
US-2015259350-A1 | Novel triazolopyrazine derivative and use thereof | 20130930 |
US-9403831-B2 | Triazolopyrazine derivative and use thereof | 20130930 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.125928785 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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