5-Pyrimidinecarboxylic acid, 2-amino-, ethyl ester


Chemical Name: 5-Pyrimidinecarboxylic acid, 2-amino-, ethyl ester
CAS Number: 57401-76-0
Product Number: AG00EB21(AGN-PC-0JPEWC)
Synonyms:
MDL No: MFCD04114100
Molecular Formula: C7H9N3O2
Molecular Weight: 167.1653

Identification/Properties


Computed Properties
Molecular Weight:
167.168g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
167.069g/mol
Monoisotopic Mass:
167.069g/mol
Topological Polar Surface Area:
78.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
155
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-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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