20195-20-4
3',4'-DIHYDROXY-2-(HEXAHYDRO-1H-AZEPIN-1-YL)ACETOPHENONE
Name3',4'-DIHYDROXY-2-(HEXAHYDRO-1H-AZEPIN-1-YL)ACETOPHENONE
1Identification
【Name】
3',4'-DIHYDROXY-2-(HEXAHYDRO-1H-AZEPIN-1-YL)ACETOPHENONE
【CAS】
【MDL】
MFCD01037098
【English Synonyms】
【Formula】
C14 H19 N O3
【MolWeight】
249.308
【Inchi】
InChI=1S/C14H19NO3/c16-12-6-5-11(9-13(12)17)14(18)10-15-7-3-1-2-4-8-15/h5-6,9,16-17H,1-4,7-8,10H2
【InChIKey】
InChIKey=HXEXAVBFVYCOOG-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(=O)CN2CCCCCC2)O)O
【MOL File】
3',4'-DIHYDROXY-2-(H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3',4'-DIHYDROXY-2-(HEXAHYDRO-1H-AZEPIN-1-YL)ACETOPHENONE.cml