3-Phenylbutyronitrile - CAS 20132-76-7

Catalog:	BB015669
Product Name:	3-Phenylbutyronitrile
CAS:	20132-76-7
Synonyms:	3-phenylbutanenitrile; 3-phenylbutanenitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-phenylbutanenitrile
Description:	3-Phenylbutyronitrile (CAS# 20132-76-7) is a useful research chemical.
Molecular Weight:	145.20
Molecular Formula:	C10H11N
Canonical SMILES:	CC(CC#N)C1=CC=CC=C1
InChI:	InChI=1S/C10H11N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3
InChI Key:	JBDOBSSRYFZPAN-UHFFFAOYSA-N
Boiling Point:	122 °C (1.3 mmHg)
LogP:	2.70378

Publication Number	Title	Priority Date
WO-2020155595-A1	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor	20190201
US-10577352-B2	Cot modulators and methods of use thereof	20160630
US-2019016705-A1	Cot modulators and methods of use thereof	20160630
EP-3176151-A1	Process for the catalytic reversible alkene-nitrile interconversion	20151201
US-10597356-B2	Process for the catalytic reversible alkene-nitrile interconversion	20151201

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

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Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.089149355
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	145.089149355
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2