alpha-Cyclopentylbenzyl Alcohol - CAS 4397-01-7
Catalog: |
BB025506 |
Product Name: |
alpha-Cyclopentylbenzyl Alcohol |
CAS: |
4397-01-7 |
Synonyms: |
cyclopentyl(phenyl)methanol; cyclopentyl(phenyl)methanol |
IUPAC Name: | cyclopentyl(phenyl)methanol |
Description: | alpha-Cyclopentylbenzyl Alcohol (CAS# 4397-01-7 ) is a useful research chemical. |
Molecular Weight: | 176.25 |
Molecular Formula: | C12H16O |
Canonical SMILES: | C1CCC(C1)C(C2=CC=CC=C2)O |
InChI: | InChI=1S/C12H16O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2 |
InChI Key: | NHOWGKLPKLMKGL-UHFFFAOYSA-N |
Boiling Point: | 286.8 °C at 760 mmHg |
Density: | 1.066 g/cm3 |
LogP: | 2.91020 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021134086-A1 | Arylcyclohexylamine derivatives and their use in the treatment of psychiatric disorders | 20191226 |
US-9751875-B2 | Quinine compounds, and optical isomers, preparation method and medical use thereof | 20130713 |
EP-2415742-A1 | Method for producing alcohol compound and catalyst therefor | 20090331 |
US-2012029195-A1 | Method for producing alcohol compound and catalyst therefor | 20090331 |
TW-200838497-A | Sphingosine-1-phosphate receptor agonist and antagonist compounds | 20061221 |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.120115130 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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