1-Piperidinecarboxylic acid, 4-[(aminothioxomethyl)amino]-, ethyl ester


Chemical Name: 1-Piperidinecarboxylic acid, 4-[(aminothioxomethyl)amino]-, ethyl ester
CAS Number: 294622-57-4
Product Number: AG019UBA(AGN-PC-00B3KO)
Synonyms:
MDL No:
Molecular Formula: C9H17N3O2S
Molecular Weight: 231.3152

Identification/Properties


Computed Properties
Molecular Weight:
231.314g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
231.104g/mol
Monoisotopic Mass:
231.104g/mol
Topological Polar Surface Area:
99.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
240
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

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NMR Spectrum


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