Acetic acid, (acetylamino)cyano-, ethyl ester


Chemical Name: Acetic acid, (acetylamino)cyano-, ethyl ester
CAS Number: 4977-62-2
Product Number: AG003QE5(AGN-PC-0JM1A4)
Synonyms:
MDL No:
Molecular Formula: C7H10N2O3
Molecular Weight: 170.1659

Identification/Properties


Properties
MP:
125-130 °C(lit.)
BP:
347.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
170.168g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
170.069g/mol
Monoisotopic Mass:
170.069g/mol
Topological Polar Surface Area:
79.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
228
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
Danger
UN#:
3439
Hazard Statements:
H301-H315-H319-H335
Precautionary Statements:
P261-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback