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1-(4-Methoxyphenyl)cyclopentanecarbonitrile

1-(4-Methoxyphenyl)cyclopentanecarbonitrile - CAS 1206-15-1

Catalog:	BB004920
Product Name:	1-(4-Methoxyphenyl)cyclopentanecarbonitrile
CAS:	1206-15-1
Synonyms:	1-(4-methoxyphenyl)-1-cyclopentanecarbonitrile; 1-(4-methoxyphenyl)cyclopentane-1-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(4-methoxyphenyl)cyclopentane-1-carbonitrile
Description:	1-(4-Methoxyphenyl)cyclopentanecarbonitrile (CAS# 1206-15-1) is a useful research chemical.
Molecular Weight:	201.26
Molecular Formula:	C13H15NO
Canonical SMILES:	COC1=CC=C(C=C1)C2(CCCC2)C#N
InChI:	InChI=1S/C13H15NO/c1-15-12-6-4-11(5-7-12)13(10-14)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
InChI Key:	DOZAMVFROCVJLO-UHFFFAOYSA-N
Boiling Point:	135-139 °C (3 mmHg)
Density:	1.0862 g/cm³
LogP:	3.03058

Publication Number	Title	Priority Date
KR-101772134-B1	N2-(2-methoxyphenyl)pyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer containing the same as an active ingredient	20150414
KR-20160123231-A	N2-(2-methoxyphenyl)pyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer containing the same as an active ingredient	20150414
US-10100019-B2	N2-(2-methoxyphenyl)pyrimidine derivative, method for preparing same, and pharmaceutical composition for cancer prevention or treatment containing same as active ingredient	20150414
US-2018111905-A1	N2-(2-methoxyphenyl)pyrimidine derivative, method for preparing same, and pharmaceutical composition for cancer prevention or treatment containing same as active ingredient	20150414
WO-2016167511-A2	N2-(2-methoxyphenyl)pyrimidine derivative, method for preparing same, and pharmaceutical composition for cancer prevention or treatment containing same as active ingredient	20150414

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

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, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.115364102
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.115364102
Rotatable Bond Count:	2
Topological Polar Surface Area:	33 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3