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1-(3,4-Dimethoxyphenyl)cyclopentanecarbonitrile

1-(3,4-Dimethoxyphenyl)cyclopentanecarbonitrile - CAS 34975-22-9

Name: 1-(3,4-Dimethoxyphenyl)cyclopentanecarbonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022381
Product Name:	1-(3,4-Dimethoxyphenyl)cyclopentanecarbonitrile
CAS:	34975-22-9
Synonyms:	1-(3,4-dimethoxyphenyl)-1-cyclopentanecarbonitrile; 1-(3,4-dimethoxyphenyl)cyclopentane-1-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(3,4-dimethoxyphenyl)cyclopentane-1-carbonitrile
Description:	1-(3,4-Dimethoxyphenyl)cyclopentanecarbonitrile (CAS# 34975-22-9) is a useful research chemical.
Molecular Weight:	231.29
Molecular Formula:	C14H17NO2
Canonical SMILES:	COC1=C(C=C(C=C1)C2(CCCC2)C#N)OC
InChI:	InChI=1S/C14H17NO2/c1-16-12-6-5-11(9-13(12)17-2)14(10-15)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3
InChI Key:	UNNOXLSDQWRFPO-UHFFFAOYSA-N
LogP:	3.03918

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
RU-2637928-C2	Arylcycloalkylamines derivatives neuroprotector (versions), substances with combined neuroprotector, analgetic and antidepressive action, pharmaceutical compositions based thereon	20160208
WO-2017138838-A1	Arylcycloalkylamine derivatives exhibiting a neuroprotective, analgesic and antidepressant effect	20160208
AU-2004290581-A1	Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters	20031114
CA-2545719-A1	Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters	20031114
EP-1682127-A1	Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters	20031114

Complexity:	301
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.125928785
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.125928785
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9