577762-20-0
3-PYRIDINECARBONITRILE,2-AMINO-5,6-DIMETHYL-4-(1-METHYL-1H-PYRROL-2-YL)-
Name3-PYRIDINECARBONITRILE,2-AMINO-5,6-DIMETHYL-4-(1-METHYL-1H-PYRROL-2-YL)-
1Identification
【Name】
3-PYRIDINECARBONITRILE,2-AMINO-5,6-DIMETHYL-4-(1-METHYL-1H-PYRROL-2-YL)-
【CAS】
【MDL】
MFCD04018566
【English Synonyms】
【Formula】
C13 H14 N4
【MolWeight】
226.282
【Inchi】
InChI=1S/C13H14N4/c1-8-9(2)16-13(15)10(7-14)12(8)11-5-4-6-17(11)3/h4-6H,1-3H3,(H2,15,16)
【InChIKey】
InChIKey=BDQVUPYOVTWNTK-UHFFFAOYSA-N
【SMILES】
Cc1c(nc(c(c1c2cccn2C)C#N)N)C
【MOL File】
3-PYRIDINECARBONITRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-PYRIDINECARBONITRILE,2-AMINO-5,6-DIMETHYL-4-(1-METHYL-1H-PYRROL-2-YL)-.cml