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

Technical Data

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Computed Properties

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

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

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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

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