3-methanesulfinylcyclopentan-1-amine, Mixture of diastereomers


Chemical Name: 3-methanesulfinylcyclopentan-1-amine, Mixture of diastereomers
CAS Number: 1342010-48-3
Product Number: AG01DTDM(AG01DTDM)
Synonyms:
MDL No:
Molecular Formula: C6H13NOS
Molecular Weight: 147.2385

Identification/Properties


Computed Properties
Molecular Weight:
147.236g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
147.072g/mol
Monoisotopic Mass:
147.072g/mol
Topological Polar Surface Area:
62.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
126
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
3
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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