3(R)-hydroxymethylmorpholine - CAS 211053-49-5
Catalog: |
BB016608 |
Product Name: |
3(R)-hydroxymethylmorpholine |
CAS: |
211053-49-5 |
Synonyms: |
[(3R)-3-morpholinyl]methanol; [(3R)-morpholin-3-yl]methanol |
IUPAC Name: | [(3R)-morpholin-3-yl]methanol |
Description: | A chiral morpholine drivative. |
Molecular Weight: | 117.15 |
Molecular Formula: | C5H11NO2 |
Canonical SMILES: | C1COCC(N1)CO |
InChI: | InChI=1S/C5H11NO2/c7-3-5-4-8-2-1-6-5/h5-7H,1-4H2/t5-/m1/s1 |
InChI Key: | UCDFBOLUCCNTDQ-RXMQYKEDSA-N |
Boiling Point: | 218.3 ℃ at 760 mmHg |
Melting Point: | 78-81 ℃ |
Purity: | 97+ % |
Density: | 1.045 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD09910295 |
LogP: | -0.70410 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020188467-A1 | Condensed tricyclic compound used as kinase inhibitor | 20190315 |
CN-111349105-A | Benzofuran derivative, preparation method and medical application thereof | 20181224 |
US-10683285-B2 | Modulators of hemoglobin | 20181119 |
US-2020157085-A1 | Modulators of hemoglobin | 20181119 |
WO-2020106642-A1 | 2-formyl-3-hydroxyphenyloxymethyl compounds capable of modulating hemoglobin | 20181119 |
Complexity: | 67.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 117.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 117.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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