54767-75-8
(R,S)-4-((1-METHYLETHYL)THIO)-ALPHA-(1-(OCTYLAMINO)ETHYL)BENZENEMETHANOL
Name
(R,S)-4-((1-METHYLETHYL)THIO)-ALPHA-(1-(OCTYLAMINO)ETHYL)BENZENEMETHANOL
Formula
C20 H35 N O S
MolWeight
337.569
1Identification
【Name】
(R,S)-4-((1-METHYLETHYL)THIO)-ALPHA-(1-(OCTYLAMINO)ETHYL)BENZENEMETHANOL
【CAS】
【MDL】
MFCD00238751
【English Synonyms】
【Formula】
C20 H35 N O S
【MolWeight】
337.569
【Inchi】
InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1
【InChIKey】
InChIKey=BFCDFTHTSVTWOG-YLJYHZDGSA-N
【SMILES】
CCCCCCCCN[C@H](C)[C@H](c1ccc(cc1)SC(C)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(R,S)-4-((1-METHYLETHYL)THIO)-ALPHA-(1-(OCTYLAMINO)ETHYL)BENZENEMETHANOL.cml
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