79989-22-3
(+-)-6-BENZYL-7-METHYL-5,6,8,9-TETRAHYDRO-1,2,12-TRIMETHOXY-7H-DIBENZ(D,F)AZONINE
Name(+-)-6-BENZYL-7-METHYL-5,6,8,9-TETRAHYDRO-1,2,12-TRIMETHOXY-7H-DIBENZ(D,F)AZONINE
1Identification
【Name】
(+-)-6-BENZYL-7-METHYL-5,6,8,9-TETRAHYDRO-1,2,12-TRIMETHOXY-7H-DIBENZ(D,F)AZONINE
【CAS】
【MDL】
MFCD01752437
【English Synonyms】
【Formula】
C27 H31 N O3
【MolWeight】
417.546
【Inchi】
InChI=1S/C27H31NO3/c1-28-15-14-20-10-12-23(29-2)18-24(20)26-21(11-13-25(30-3)27(26)31-4)17-22(28)16-19-8-6-5-7-9-19/h5-13,18,22H,14-17H2,1-4H3
【InChIKey】
InChIKey=UKPKLOGAZMAXNZ-UHFFFAOYSA-N
【SMILES】
CN1CCc2ccc(cc2-c3c(ccc(c3OC)OC)CC1Cc4ccccc4)OC
【MOL File】
(+-)-6-BENZYL-7-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(+-)-6-BENZYL-7-METHYL-5,6,8,9-TETRAHYDRO-1,2,12-TRIMETHOXY-7H-DIBENZ(D,F)AZONINE.cml