154541-72-7
ALINASTINE
Name
ALINASTINE
Formula
C28 H39 N3 O
MolWeight
433.636
1Identification
【Name】
ALINASTINE
【CAS】
【MDL】
MFCD00865670
【English Synonyms】
【Formula】
C28 H39 N3 O
【MolWeight】
433.636
【Inchi】
InChI=1S/C28H39N3O/c1-5-32-21-20-31-26-9-7-6-8-25(26)29-27(31)23-15-18-30(19-16-23)17-14-22-10-12-24(13-11-22)28(2,3)4/h6-13,23H,5,14-21H2,1-4H3
【InChIKey】
InChIKey=NPWTVYBPSXCRPM-UHFFFAOYSA-N
【SMILES】
CCOCCn1c2ccccc2nc1C3CCN(CC3)CCc4ccc(cc4)C(C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALINASTINE.cml
Quick Release
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