tert-butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate


Chemical Name: tert-butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate
CAS Number: 774609-73-3
Product Number: AG0053DP(AGN-PC-04Z0XX)
Synonyms:
MDL No:
Molecular Formula: C12H20N2O3
Molecular Weight: 240.2988

Identification/Properties


Properties
BP:
387.1±27.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
240.303g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
240.147g/mol
Monoisotopic Mass:
240.147g/mol
Topological Polar Surface Area:
73.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
329
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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