67254-81-3
PERADOXIME
Name
PERADOXIME
Formula
C22 H29 N3 O4
MolWeight
399.488
1Identification
【Name】
PERADOXIME
【CAS】
【MDL】
MFCD00868939
【English Synonyms】
【Formula】
C22 H29 N3 O4
【MolWeight】
399.488
【Inchi】
InChI=1S/C22H29N3O4/c1-27-20-7-5-6-18(14-20)15-23-29-17-19(26)16-24-10-12-25(13-11-24)21-8-3-4-9-22(21)28-2/h3-9,14-15,19,26H,10-13,16-17H2,1-2H3/b23-15+
【InChIKey】
InChIKey=QSOFMSXQETVQGE-HZHRSRAPSA-N
【SMILES】
COc1cccc(c1)/C=N/OCC(CN2CCN(CC2)c3ccccc3OC)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PERADOXIME.cml
Quick Release
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