59752-23-7
BENDERIZINE
Name
BENDERIZINE
Formula
C28 H34 N2 O2
MolWeight
430.589
1Identification
【Name】
BENDERIZINE
【CAS】
【MDL】
MFCD00869014
【English Synonyms】
【Formula】
C28 H34 N2 O2
【MolWeight】
430.589
【Inchi】
InChI=1S/C28H34N2O2/c1-28(20-22-15-16-25(31-3)26(19-22)32-4)21-30(18-17-29(28)2)27(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,19,27H,17-18,20-21H2,1-4H3/t28-/m1/s1
【InChIKey】
InChIKey=HBIDWFPFQACMBQ-MUUNZHRXSA-N
【SMILES】
C[C@]1(CN(CCN1C)C(c2ccccc2)c3ccccc3)Cc4ccc(c(c4)OC)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENDERIZINE.cml
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