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87932-38-5 | Ethanamine, 2-[[2-(trimethylsilyl)ethyl]thio]-, (2Z)-2-butenedioate (2:1)
CAS No: 87932-38-5 Catalog No: AG004FEE MDL No:
Product Description
Catalog Number:
AG004FEE
Chemical Name:
Ethanamine, 2-[[2-(trimethylsilyl)ethyl]thio]-, (2Z)-2-butenedioate (2:1)
CAS Number:
87932-38-5
Molecular Formula:
C18H42N2O4S2Si2
Molecular Weight:
470.8381
IUPAC Name:
but-2-enedioic acid;2-(2-trimethylsilylethylsulfanyl)ethanamine
InChI:
InChI=1S/2C7H19NSSi.C4H4O4/c2*1-10(2,3)7-6-9-5-4-8;5-3(6)1-2-4(7)8/h2*4-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
BMJOUNDWRABUJK-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=O)O.NCCSCC[Si](C)(C)C.NCCSCC[Si](C)(C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.212g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
470.834g/mol
Monoisotopic Mass:
470.212g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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