92302-55-1
5-(N-(3-METHOXYPHENETHYL)-N-METHYLAMINO)-2-ISOPROPYL-2-(3,4-DIMETHOXYPHENYL)PENTANENITRILE
Name5-(N-(3-METHOXYPHENETHYL)-N-METHYLAMINO)-2-ISOPROPYL-2-(3,4-DIMETHOXYPHENYL)PENTANENITRILE
1Identification
【Name】
5-(N-(3-METHOXYPHENETHYL)-N-METHYLAMINO)-2-ISOPROPYL-2-(3,4-DIMETHOXYPHENYL)PENTANENITRILE
【CAS】
【MDL】
MFCD00868260
【English Synonyms】
【Formula】
C26 H36 N2 O3
【MolWeight】
424.581
【Inchi】
InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3
【InChIKey】
InChIKey=VMVKIDPOEOLUFS-UHFFFAOYSA-N
【SMILES】
CC(C)C(CCCN(C)CCc1cccc(c1)OC)(C#N)c2ccc(c(c2)OC)OC
【MOL File】
5-(N-(3-METHOXYPHENE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(N-(3-METHOXYPHENETHYL)-N-METHYLAMINO)-2-ISOPROPYL-2-(3,4-DIMETHOXYPHENYL)PENTANENITRILE.cml