159559-71-4
(RS)-TRANS-7-HYDROXY-2-[N-PROPYL-N-(3'-IODO-2'-PROPENYL)AMINO]TETRALIN MALEATE
Name(RS)-TRANS-7-HYDROXY-2-[N-PROPYL-N-(3'-IODO-2'-PROPENYL)AMINO]TETRALIN MALEATE
FormulaC16 H22 I N O . C4 H4 O4
1Identification
【Name】
(RS)-TRANS-7-HYDROXY-2-[N-PROPYL-N-(3'-IODO-2'-PROPENYL)AMINO]TETRALIN MALEATE
【CAS】
【MDL】
MFCD00674175
【English Synonyms】
【Formula】
C16 H22 I N O . C4 H4 O4
【MolWeight】
487.327
【Inchi】
InChI=1S/C16H22INO.C4H4O4/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15;5-3(6)1-2-4(7)8/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b8-3+;2-1-
【InChIKey】
InChIKey=IQRDHLSQXOATHD-HBRCEPSSSA-N
【SMILES】
CCCN(C/C=C/I)C1CCc2ccc(cc2C1)O.C(=C\C(=O)O)\C(=O)O
【MOL File】
(RS)-TRANS-7-HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(RS)-TRANS-7-HYDROXY-2-[N-PROPYL-N-(3'-IODO-2'-PROPENYL)AMINO]TETRALIN MALEATE.cml