(R)-1-(Benzyloxy)-2-propanol - CAS 89401-28-5
Catalog: |
BB039470 |
Product Name: |
(R)-1-(Benzyloxy)-2-propanol |
CAS: |
89401-28-5 |
Synonyms: |
(2R)-1-phenylmethoxy-2-propanol; (2R)-1-phenylmethoxypropan-2-ol |
IUPAC Name: | (2R)-1-phenylmethoxypropan-2-ol |
Description: | (R)-1-(Benzyloxy)-2-propanol (CAS# 89401-28-5) is the R-isomer of 1-Benzyloxy-2-propanol (B287760), a compound used in the synthetic preparation of glucokinase activators for the treatment of diabetes. |
Molecular Weight: | 166.22 |
Molecular Formula: | C10H14O2 |
Canonical SMILES: | CC(COCC1=CC=CC=C1)O |
InChI: | InChI=1S/C10H14O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1 |
InChI Key: | KJBPYIUAQLPHJG-SECBINFHSA-N |
Boiling Point: | 263.848 °C at 760 mmHg |
Density: | 1.027 g/mL at 25°C(lit.) |
Appearance: | Colorless clear liquid |
MDL: | MFCD07367007 |
LogP: | 1.58400 |
GHS Hazard Statement: | H302 (97.44%): 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 |
US-2021292348-A1 | Antiviral compounds | 20200218 |
WO-2021168004-A1 | Antiviral compounds | 20200218 |
US-2021122764-A1 | Small Molecule Inhibitors of KRAS G12C Mutant | 20191028 |
WO-2021086833-A1 | Small molecule inhibitors of kras g12c mutant | 20191028 |
US-10829493-B2 | Compositions and methods for treating KIT- and PDGFRA-mediated diseases | 20190412 |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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