AG000IS0

1194375-38-6 | 4-Pyrimidineacetic acid, 2-amino-, ethyl ester

AG000IS0

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CAS Number	1194375-38-6
Catalog Number	AG000IS0(AGN-PC-0JK1YM)
Chemical Name	4-Pyrimidineacetic acid, 2-amino-, ethyl ester
IUPAC Name	ethyl 2-(2-aminopyrimidin-4-yl)acetate
InChI	InChI=1S/C8H11N3O2/c1-2-13-7(12)5-6-3-4-10-8(9)11-6/h3-4H,2,5H2,1H3,(H2,9,10,11)
InChI Key	BAOXHPPKUAJHEM-UHFFFAOYSA-N
MDL Number	MFCD11877954
Molecular Formula	C8H11N3O2
Molecular Weight	181.1918
SMILES	NC1=NC=CC(=N1)CC(=O)OCC
Synonyms	ETHYL 2-(2-AMINOPYRIMIDIN-4-YL)ACETATE, 1194375-38-6, DTXSID30857327, MFCD11877954, ZINC95911156, AKOS025146695, Ethyl (2-aminopyrimidin-4-yl)acetate, AK164671, AS-41972, QC-11534, SC-66436, AB0047289, 4-Pyrimidineacetic acid, 2-amino-, ethyl ester,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.085g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.195g/mol
Monoisotopic Mass	181.085g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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