AG01BD9U

Name: 3-Methyl-2-(2-methylphenyl)butanenitrile
Brand: Angene Chemical
SKU: AG01BD9U

105902-47-4 | 3-Methyl-2-(2-methylphenyl)butanenitrile

AG01BD9U

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CAS Number	105902-47-4
Catalog Number	AG01BD9U(AGN-PC-0OVBYU)
Chemical Name	3-Methyl-2-(2-methylphenyl)butanenitrile
IUPAC Name	3-methyl-2-(2-methylphenyl)butanenitrile
InChI	InChI=1S/C12H15N/c1-9(2)12(8-13)11-7-5-4-6-10(11)3/h4-7,9,12H,1-3H3
InChI Key	GTFUVNONPTVSIK-UHFFFAOYSA-N
MDL Number	MFCD16301515
Molecular Formula	C12H15N
Molecular Weight	173.2542
SMILES	CC(C(C1=C(C)C=CC=C1)C#N)C
Synonyms	3-methyl-2-(2-methylphenyl)butanenitrile, 105902-47-4, 2-(2-methylphenyl)-3-methylbutyronitrile, SCHEMBL8751146, GTFUVNONPTVSIK-UHFFFAOYSA-N, AKOS014316250, alpha-isopropyl-2-methylbenzyl cyanide, MCULE-2283875510, NE15970, Z1834223391,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.12g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.259g/mol
Monoisotopic Mass	173.12g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited