(6-phenoxy-3-pyridinyl)methanol - CAS 101990-68-5
Catalog: |
BB000720 |
Product Name: |
(6-phenoxy-3-pyridinyl)methanol |
CAS: |
101990-68-5 |
Synonyms: |
(6-phenoxy-3-pyridinyl)methanol; (6-phenoxypyridin-3-yl)methanol |
IUPAC Name: | (6-phenoxypyridin-3-yl)methanol |
Description: | (6-phenoxy-3-pyridinyl)methanol (CAS# 101990-68-5) is a useful research chemical. |
Molecular Weight: | 201.22 |
Molecular Formula: | C12H11NO2 |
Canonical SMILES: | C1=CC=C(C=C1)OC2=NC=C(C=C2)CO |
InChI: | InChI=1S/C12H11NO2/c14-9-10-6-7-12(13-8-10)15-11-4-2-1-3-5-11/h1-8,14H,9H2 |
InChI Key: | ZAKRVFYNLKKPOF-UHFFFAOYSA-N |
Boiling Point: | 362.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.204 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD02682069 |
LogP: | 2.36620 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2815179-A1 | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
EP-2638008-A1 | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
EP-2638008-B1 | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
JP-2013545744-A | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
JP-5847830-B2 | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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