889-31-6
5,5-DIMETHYL-3-(BENZYLAMINO)CYCLOHEX-2-EN-1-ONE
Name5,5-DIMETHYL-3-(BENZYLAMINO)CYCLOHEX-2-EN-1-ONE
1Identification
【Name】
5,5-DIMETHYL-3-(BENZYLAMINO)CYCLOHEX-2-EN-1-ONE
【CAS】
【MDL】
MFCD00170309
【English Synonyms】
【Formula】
C15 H19 N O
【MolWeight】
229.321
【Inchi】
InChI=1S/C15H19NO/c1-15(2)9-13(8-14(17)10-15)16-11-12-6-4-3-5-7-12/h3-8,16H,9-11H2,1-2H3
【InChIKey】
InChIKey=CCAHMSNAFCNUPX-UHFFFAOYSA-N
【SMILES】
CC1(CC(=CC(=O)C1)NCc2ccccc2)C
【MOL File】
5,5-DIMETHYL-3-(BENZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,5-DIMETHYL-3-(BENZYLAMINO)CYCLOHEX-2-EN-1-ONE.cml