Carbamic acid, [[(8b)-1,6-dimethylergolin-8-yl]methyl]-, phenylmethylester


Chemical Name: Carbamic acid, [[(8b)-1,6-dimethylergolin-8-yl]methyl]-, phenylmethylester
CAS Number: 17692-51-2
Product Number: AG0078UU(AGN-PC-0QB106)
Synonyms:
MDL No:
Molecular Formula: C25H29N3O2
Molecular Weight: 403.5167

Identification/Properties


Computed Properties
Molecular Weight:
403.526g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
403.226g/mol
Monoisotopic Mass:
403.226g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
607
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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#:
-
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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