Carbamic acid, [(1S)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester


Chemical Name: Carbamic acid, [(1S)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester
CAS Number: 117049-14-6
Product Number: AG000DMK(AGN-PC-0NZ68F)
Synonyms:
MDL No: MFCD00274206
Molecular Formula: C13H19NO3
Molecular Weight: 237.2949

Identification/Properties


Properties
MP:
136-139 °C(lit.)
BP:
382.4 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
237.299g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
237.136g/mol
Monoisotopic Mass:
237.136g/mol
Topological Polar Surface Area:
58.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
242
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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:
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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