105567-83-7
BEREFRINE
Name
BEREFRINE
Formula
C14 H21 N O2
MolWeight
235.325
1Identification
【Name】
BEREFRINE
【CAS】
【MDL】
MFCD00867727
【English Synonyms】
【Formula】
C14 H21 N O2
【MolWeight】
235.325
【Inchi】
InChI=1S/C14H21NO2/c1-14(2,3)13-15(4)9-12(17-13)10-6-5-7-11(16)8-10/h5-8,12-13,16H,9H2,1-4H3/t12-,13?/m0/s1
【InChIKey】
InChIKey=ORIOFGXXYYXLNY-UEWDXFNNSA-N
【SMILES】
CC(C)(C)C1N(C[C@H](O1)c2cccc(c2)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BEREFRINE.cml
Quick Release
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