3-Thiopheneacetic acid,5-[bis(2-ethoxy-2-oxoethyl)amino]-4-cyano-2-(ethoxycarbonyl)-, ethylester


Chemical Name: 3-Thiopheneacetic acid,5-[bis(2-ethoxy-2-oxoethyl)amino]-4-cyano-2-(ethoxycarbonyl)-, ethylester
CAS Number: 58194-26-6
Product Number: AG00E8TB(AGN-PC-0SPAMA)
Synonyms:
MDL No:
Molecular Formula: C20H26N2O8S
Molecular Weight: 454.4940

Identification/Properties


Properties
MP:
103-106 °C
BP:
579.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
454.494g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
16
Exact Mass:
454.141g/mol
Monoisotopic Mass:
454.141g/mol
Topological Polar Surface Area:
161A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
672
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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