tert-butyl (3Z)-3-(dimethylaminomethylidene)-4-oxopiperidine-1-carboxylate


Chemical Name: tert-butyl (3Z)-3-(dimethylaminomethylidene)-4-oxopiperidine-1-carboxylate
CAS Number: 157327-41-8
Product Number: AG001PDO(AGN-PC-03K5BL)
Synonyms:
MDL No: MFCD08443986
Molecular Formula: C13H22N2O3
Molecular Weight: 254.3254

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
254.33g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
254.163g/mol
Monoisotopic Mass:
254.163g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
367
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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