429689-23-6
(3R)-(+)-3-(1-METHYL-1H-INDOL-3-YL)BUTANENITRILE
Name(3R)-(+)-3-(1-METHYL-1H-INDOL-3-YL)BUTANENITRILE
1Identification
【Name】
(3R)-(+)-3-(1-METHYL-1H-INDOL-3-YL)BUTANENITRILE
【CAS】
【MDL】
MFCD05865170
【English Synonyms】
【Formula】
C13 H14 N2
【MolWeight】
198.268
【Inchi】
InChI=1S/C13H14N2/c1-10(7-8-14)12-9-15(2)13-6-4-3-5-11(12)13/h3-6,9-10H,7H2,1-2H3/t10-/m1/s1
【InChIKey】
InChIKey=JWGJENJOKQETPV-SNVBAGLBSA-N
【SMILES】
C[C@H](CC#N)c1cn(c2c1cccc2)C
【MOL File】
(3R)-(+)-3-(1-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3R)-(+)-3-(1-METHYL-1H-INDOL-3-YL)BUTANENITRILE.cml