2-(4-Methoxyphenyl)-2-methylpropanenitrile - CAS 5351-07-5

Catalog:	BB028250
Product Name:	2-(4-Methoxyphenyl)-2-methylpropanenitrile
CAS:	5351-07-5
Synonyms:	2-(4-methoxyphenyl)-2-methylpropanenitrile; 2-(4-methoxyphenyl)-2-methylpropanenitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(4-methoxyphenyl)-2-methylpropanenitrile
Description:	2-(4-Methoxyphenyl)-2-methylpropanenitrile (CAS# 5351-07-5) is a useful research chemical.
Molecular Weight:	175.23
Molecular Formula:	C11H13NO
Canonical SMILES:	CC(C)(C#N)C1=CC=C(C=C1)OC
InChI:	InChI=1S/C11H13NO/c1-11(2,8-12)9-4-6-10(13-3)7-5-9/h4-7H,1-3H3
InChI Key:	CDCRUVGWQJYTFO-UHFFFAOYSA-N
Boiling Point:	284.9 °C at 760 mmHg
Density:	1.009 g/cm³
MDL:	MFCD00229868
LogP:	2.49638

Publication Number	Title	Priority Date
EP-3643703-A1	Ep300/crebbp inhibitor	20170621
TW-201906838-A	EP300/CREBBP inhibitor	20170621
US-2021171520-A1	Ep300/crebbp inhibitor	20170621
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

PMID	Publication Date	Title	Journal
22693174	20120801	Myostatin and its association with abdominal obesity, androgen and follistatin levels in women with polycystic ovary syndrome	Human reproduction (Oxford, England)

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.099714038
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	33 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5