59091-65-5
DELERGOTRILE
Name
DELERGOTRILE
Formula
C17 H19 N3
MolWeight
265.358
1Identification
【Name】
DELERGOTRILE
【CAS】
【MDL】
MFCD00867370
【English Synonyms】
【Formula】
C17 H19 N3
【MolWeight】
265.358
【Inchi】
InChI=1S/C17H19N3/c1-20-10-11(5-6-18)7-14-13-3-2-4-15-17(13)12(9-19-15)8-16(14)20/h2-4,9,11,14,16,19H,5,7-8,10H2,1H3/t11-,14+,16+/m0/s1
【InChIKey】
InChIKey=LBMFWYCMCHRLBU-SGIREYDYSA-N
【SMILES】
CN1C[C@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CC#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DELERGOTRILE.cml
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