54556-12-6
5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANECARBONITRILE
Name5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANECARBONITRILE
1Identification
【Name】
5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANECARBONITRILE
【CAS】
【MDL】
MFCD11641472
【English Synonyms】
【Formula】
C11 H19 N
【MolWeight】
165.278
【Inchi】
InChI=1S/C11H19N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-6H2,1-3H3
【InChIKey】
InChIKey=AWVUYKHSNNYPOX-UHFFFAOYSA-N
【SMILES】
CC1CCC(C(C1)C#N)C(C)C
【MOL File】
5-METHYL-2-(1-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANECARBONITRILE.cml