59435-31-3
2-[(3,4-DIETHYL-1H-PYRROL-2-YL)METHYLENE]-PROPANEDINITRILE
Name2-[(3,4-DIETHYL-1H-PYRROL-2-YL)METHYLENE]-PROPANEDINITRILE
1Identification
【Name】
2-[(3,4-DIETHYL-1H-PYRROL-2-YL)METHYLENE]-PROPANEDINITRILE
【CAS】
【MDL】
MFCD20670755
【English Synonyms】
【Formula】
C12 H13 N3
【MolWeight】
199.256
【Inchi】
InChI=1S/C12H13N3/c1-3-10-8-15-12(11(10)4-2)5-9(6-13)7-14/h5,8,15H,3-4H2,1-2H3
【InChIKey】
InChIKey=NLCUZMCOJOUDKT-UHFFFAOYSA-N
【SMILES】
CCc1c[nH]c(c1CC)C=C(C#N)C#N
【MOL File】
2-[(3,4-DIETHYL-1H-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(3,4-DIETHYL-1H-PYRROL-2-YL)METHYLENE]-PROPANEDINITRILE.cml