1-Cyclohexene-1-carboxylic acid,4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-


Chemical Name: 1-Cyclohexene-1-carboxylic acid,4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-
CAS Number: 196618-13-0
Product Number: AG003THX(AGN-PC-0QOFAK)
Synonyms:
MDL No:
Molecular Formula: C16H28N2O4
Molecular Weight: 312.4045

Identification/Properties


Properties
MP:
108 - 110°C
BP:
473.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
312.41g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
8
Exact Mass:
312.205g/mol
Monoisotopic Mass:
312.205g/mol
Topological Polar Surface Area:
90.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
418
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


PNMR/OSELTAMIVIR-196618-13-0-hnmr.pdf

Other Analytical Data


POTHER/OSELTAMIVIR-196618-13-0-hplc.pdf

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