3-Methyl-2-(2-methylphenyl)butanenitrile

HCID 14245130CAS 105902-47-4
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Basic information

Standard SMILES
Cc1ccccc1C(C#N)C(C)C
InChIKey
GTFUVNONPTVSIK-UHFFFAOYSA-N
Molecular formula
C12H15N
Average molar mass
173.25 g/mol

Names & identifiers

Preferred name
3-Methyl-2-(2-methylphenyl)butanenitrile
IUPAC
3-methyl-2-(2-methylphenyl)butanenitrile

Names & synonyms

3-methyl-2-(2-methylphenyl)butanenitrile105902-47-42-(2-methylphenyl)-3-methylbutyronitrileSCHEMBL8751146GTFUVNONPTVSIK-UHFFFAOYSA-NFEA90247AKOS014316250alpha-isopropyl-2-methylbenzyl cyanideEN300-176265G50905Z1255452397

Database identifiers

CAS
105902-47-4
PubChem CID
14245130
EC Number
194-914-8

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
13

Related reactions

4 records
New reaction record

Linked notes

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