1,2,3,4-Tetrahydro-α-methyl-1-naphthaleneacetonitrile - CAS 2105739-48-6

Catalog:	BB056949
Product Name:	1,2,3,4-Tetrahydro-α-methyl-1-naphthaleneacetonitrile
CAS:	2105739-48-6
Synonyms:	2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanenitrile

Technical Data

IUPAC Name:	2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanenitrile
Description:	1,2,3,4-Tetrahydro-α-methyl-1-naphthaleneacetonitrile is an intermediate in the synthesis of 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile (C979545), a component of the crude extract resulting from studies on the antifungal activity of Citrullus colocynthis against various plant pathogenic fungi.Oligomeric product in thermal polymerization of acrylonitrile/styrene system.
Molecular Weight:	185.27
Molecular Formula:	C13H15N
Canonical SMILES:	CC(C#N)C1CCCC2=CC=CC=C12
InChI:	InChI=1S/C13H15N/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-3,5,7,10,12H,4,6,8H2,1H3
InChI Key:	QBZWGNKDCTWSKP-UHFFFAOYSA-N
References:	Bokhari, N.A., et al. J Pure Appl Microbio, 7, 2981-2986 (2013);Kirchner, K. et al. Macromolek Chem, 1976, 177, 2031-42..

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.120449483
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.120449483
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4