1-Piperidinecarboxylic acid, 3-(iodomethyl)-, 1,1-dimethylethyl ester


Chemical Name: 1-Piperidinecarboxylic acid, 3-(iodomethyl)-, 1,1-dimethylethyl ester
CAS Number: 253177-03-6
Product Number: AG00BG6P(AGN-PC-02Y54Y)
Synonyms:
MDL No: MFCD09953364
Molecular Formula: C11H20INO2
Molecular Weight: 325.1865

Identification/Properties


Computed Properties
Molecular Weight:
325.19g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
325.054g/mol
Monoisotopic Mass:
325.054g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
225
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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