56464-20-1
1-(4-AMINO-1-ETHYL-2-METHYL-5-PHENYL-1H-PYRROL-3-YL)ETHANONE
Name1-(4-AMINO-1-ETHYL-2-METHYL-5-PHENYL-1H-PYRROL-3-YL)ETHANONE
1Identification
【Name】
1-(4-AMINO-1-ETHYL-2-METHYL-5-PHENYL-1H-PYRROL-3-YL)ETHANONE
【CAS】
【MDL】
MFCD01727687
【English Synonyms】
【Formula】
C15 H18 N2 O
【MolWeight】
242.32
【Inchi】
InChI=1S/C15H18N2O/c1-4-17-10(2)13(11(3)18)14(16)15(17)12-8-6-5-7-9-12/h5-9H,4,16H2,1-3H3
【InChIKey】
InChIKey=CTUFIXJQAWGDQP-UHFFFAOYSA-N
【SMILES】
CCn1c(c(c(c1c2ccccc2)N)C(=O)C)C
【MOL File】
1-(4-AMINO-1-ETHYL-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-AMINO-1-ETHYL-2-METHYL-5-PHENYL-1H-PYRROL-3-YL)ETHANONE.cml