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189232-42-6
BOHEMINE
Name
BOHEMINE
Formula
C18 H24 N6 O
MolWeight
340.429
1Identification
【Name】
BOHEMINE
【CAS】
【MDL】
MFCD04974145
【English Synonyms】
【Formula】
C18 H24 N6 O
【MolWeight】
340.429
【Inchi】
InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)
【InChIKey】
InChIKey=OPQGFIAVPSXOBO-UHFFFAOYSA-N
【SMILES】
CC(C)n1cnc2c1nc(nc2NCc3ccccc3)NCCCO
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
BOHEMINE.cml
Quick Release
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