129658-18-0
BENZENEETHANAMINE, 2,5-DIMETHOXY-N,N-DIMETHYL-4-(PENTYLTHIO)-, (Z)-2-B UTENEDIOATE (1:1)
Name
BENZENEETHANAMINE, 2,5-DIMETHOXY-N,N-DIMETHYL-4-(PENTYLTHIO)-, (Z)-2-B UTENEDIOATE (1:1)
Formula
C17 H29 N O2 S . C4 H4 O4
MolWeight
427.559
1Identification
【Name】
BENZENEETHANAMINE, 2,5-DIMETHOXY-N,N-DIMETHYL-4-(PENTYLTHIO)-, (Z)-2-B UTENEDIOATE (1:1)
【CAS】
【MDL】
MFCD01744946
【English Synonyms】
【Formula】
C17 H29 N O2 S . C4 H4 O4
【MolWeight】
427.559
【Inchi】
InChI=1S/C17H29NO2S.C4H4O4/c1-6-7-8-11-21-17-13-15(19-4)14(9-10-18(2)3)12-16(17)20-5;5-3(6)1-2-4(7)8/h12-13H,6-11H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
【InChIKey】
InChIKey=DSJJTMFUKPMHAG-BTJKTKAUSA-N
【SMILES】
CCCCCSc1cc(c(cc1OC)CCN(C)C)OC.C(=C\C(=O)O)\C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZENEETHANAMINE, 2,5-DIMETHOXY-N,N-DIMETHYL-4-(PENTYLTHIO)-, (Z)-2-B UTENEDIOATE (1:1).cml
Quick Release
METHYL 2-PHENYL-2-[(THIAN-4-YL)AMINO]ACETATE
METHYL 2-([(1-METHYL-1H-PYRAZOL-5-YL)METHYL]AMINO)-2-PHENYLACETATE
METHYL 2-[(3-AMINOPHENYL)AMINO]-2-PHENYLACETATE
METHYL 2-[(2-METHYLPENTAN-3-YL)AMINO]-2-PHENYLACETATE
2-[5-(HYDROXYMETHYL)-2-NITROPHENOXY]-N-(PROP-2-YN-1-YL)ACETAMIDE
2-[5-(HYDROXYMETHYL)-2-NITROPHENOXY]-N,N-DIMETHYLACETAMIDE
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