(S)-3-(Hydroxymethyl)morpholine - CAS 211053-50-8
Catalog: |
BB016609 |
Product Name: |
(S)-3-(Hydroxymethyl)morpholine |
CAS: |
211053-50-8 |
Synonyms: |
[(3S)-3-morpholinyl]methanol; [(3S)-morpholin-3-yl]methanol |
IUPAC Name: | [(3S)-morpholin-3-yl]methanol |
Description: | (S)-3-(Hydroxymethyl)morpholine (CAS# 211053-50-8) is a chemical reagent used in the synthesis of Aurora kinase inhibitors, used for their anti-tumor activity. Also used in the preparation of human epidermal growth factor receptor 1 & 2 kinase inhbitors in the treatment of solid tumors. |
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-/m0/s1 |
InChI Key: | UCDFBOLUCCNTDQ-YFKPBYRVSA-N |
Boiling Point: | 218.3 °C at 760 mmHg |
Density: | 1.045 g/cm3 |
LogP: | -0.70410 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, 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 |
TW-201945355-A | Condensed cyclic urea derivatives as CRHR2 antagonists | 20180409 |
TW-201922756-A | Novel 2-carboxypentane compound or salt thereof, pharmaceutical composition containing the same, and use thereof | 20171005 |
WO-2019070052-A1 | NOVEL 2-CARBOXYPENAME COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAID COMPOUND OR SALT, AND APPLICATION THEREOF | 20171005 |
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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