56463-70-8
1-[4-AMINO-2-METHYL-5-(3-METHYLPHENYL)-1H-PYRROL-3-YL]ETHANONE
Name1-[4-AMINO-2-METHYL-5-(3-METHYLPHENYL)-1H-PYRROL-3-YL]ETHANONE
1Identification
【Name】
1-[4-AMINO-2-METHYL-5-(3-METHYLPHENYL)-1H-PYRROL-3-YL]ETHANONE
【CAS】
【MDL】
MFCD01727657
【English Synonyms】
【Formula】
C14 H16 N2 O
【MolWeight】
228.293
【Inchi】
InChI=1S/C14H16N2O/c1-8-5-4-6-11(7-8)14-13(15)12(10(3)17)9(2)16-14/h4-7,16H,15H2,1-3H3
【InChIKey】
InChIKey=ZXSFNRUVYVQVDB-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)c2c(c(c([nH]2)C)C(=O)C)N
【MOL File】
1-[4-AMINO-2-METHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[4-AMINO-2-METHYL-5-(3-METHYLPHENYL)-1H-PYRROL-3-YL]ETHANONE.cml