72578-52-0
2-AMINO-4,5-DIMETHYL-1-(2-METHYLPHENYL)-1H-PYRROLE-3-CARBONITRILE
Name2-AMINO-4,5-DIMETHYL-1-(2-METHYLPHENYL)-1H-PYRROLE-3-CARBONITRILE
1Identification
【Name】
2-AMINO-4,5-DIMETHYL-1-(2-METHYLPHENYL)-1H-PYRROLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD11209870
【English Synonyms】
【Formula】
C14 H15 N3
【MolWeight】
225.294
【Inchi】
InChI=1S/C14H15N3/c1-9-6-4-5-7-13(9)17-11(3)10(2)12(8-15)14(17)16/h4-7H,16H2,1-3H3
【InChIKey】
InChIKey=UOTOGPIPRYDVOS-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1n2c(c(c(c2N)C#N)C)C
【MOL File】
2-AMINO-4,5-DIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-4,5-DIMETHYL-1-(2-METHYLPHENYL)-1H-PYRROLE-3-CARBONITRILE.cml