Carbamic acid, (1-cyano-1-methylethyl)-, phenylmethyl ester


Chemical Name: Carbamic acid, (1-cyano-1-methylethyl)-, phenylmethyl ester
CAS Number: 100134-82-5
Product Number: AG000127(AGN-PC-01W2YK)
Synonyms:
MDL No:
Molecular Formula: C12H14N2O2
Molecular Weight: 218.2518

Identification/Properties


Computed Properties
Molecular Weight:
218.256g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
218.106g/mol
Monoisotopic Mass:
218.106g/mol
Topological Polar Surface Area:
62.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
285
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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