AG003Q9R

65195-35-9 | Ethyl 4-aminopyrimidine-5-carboxylate

AG003Q9R

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CAS Number	65195-35-9
Catalog Number	AG003Q9R(AGN-PC-0NJ0W3)
Chemical Name	Ethyl 4-aminopyrimidine-5-carboxylate
IUPAC Name	ethyl 4-aminopyrimidine-5-carboxylate
InChI	InChI=1S/C7H9N3O2/c1-2-12-7(11)5-3-9-4-10-6(5)8/h3-4H,2H2,1H3,(H2,8,9,10)
InChI Key	OBBDJDIJXFWRJK-UHFFFAOYSA-N
MDL Number	MFCD01028678
Molecular Formula	C7H9N3O2
Molecular Weight	167.1653
SMILES	O=C(C1=CN=CN=C1N)OCC
Synonyms	ETHYL 4-AMINOPYRIMIDINE-5-CARBOXYLATE, 65195-35-9, 5-Pyrimidinecarboxylic acid, 4-amino-, ethyl ester, ethyl4-aminopyrimidine-5-carboxylate, SCHEMBL1964549, CTK5C2344, KS-00000BLJ, DTXSID50498958, OBBDJDIJXFWRJK-UHFFFAOYSA-N, 4-amino-5-ethoxycarbonylpyrimidine, ZINC408009, 9978AB, ANW-61951, MFCD01028678, AKOS006229477, CS-W000715, HP21846, MCULE-8946012957, QC-2653, RP23006, TRA0030242, AC-23674, AJ-22637, AK-30805, CJ-04160, SY015021, TS-00141, AB0056116, ST1141077, TC-150696, 4CH-000606, 4-Aminopyrimidine-5-carboxylic acid ethyl ester, Z-4271, MFCD01028678 (97+%), 5-Pyrimidinecarboxylicacid, 4-amino-, ethyl ester, I03-0737, J-520972, C7H9N3O2, 2-(4-benzamidophenyl)acetic Acid, ACN-051380, C3201,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.069g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.168g/mol
Monoisotopic Mass	167.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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