118082-54-5
2-DIETHYLAMINO-5-PHENYL-1H-PYRROLE-3-CARBONITRILE
Name2-DIETHYLAMINO-5-PHENYL-1H-PYRROLE-3-CARBONITRILE
1Identification
【Name】
2-DIETHYLAMINO-5-PHENYL-1H-PYRROLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD15833291
【English Synonyms】
【Formula】
C15H17N3
【MolWeight】
239.32
【Inchi】
InChI=1S/C15H17N3/c1-3-18(4-2)15-13(11-16)10-14(17-15)12-8-6-5-7-9-12/h5-10,17H,3-4H2,1-2H3
【InChIKey】
InChIKey=PZPITQJMORKWGB-UHFFFAOYSA-N
【SMILES】
C(C)N(C=1NC(=CC1C#N)C1=CC=CC=C1)CC
【MOL File】
2-DIETHYLAMINO-5-PHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.9
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-DIETHYLAMINO-5-PHENYL-1H-PYRROLE-3-CARBONITRILE.cml