522-60-1
ETHYLHYDROCUPREINE
Name
ETHYLHYDROCUPREINE
Formula
C21 H28 N2 O2
MolWeight
340.464
1Identification
【Name】
ETHYLHYDROCUPREINE
【CAS】
【MDL】
MFCD00135595
【English Synonyms】
【Formula】
C21 H28 N2 O2
【MolWeight】
340.464
【Inchi】
InChI=1S/C21H28N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3/t14-,15-,20-,21+/m0/s1
【InChIKey】
InChIKey=SUWZHLCNFQWNPE-LATRNWQMSA-N
【SMILES】
CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OCC)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYLHYDROCUPREINE.cml
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