AG007SSI

18588-61-9 | 2,4-Diaminopyrimidine-5-carboxylic acid

AG007SSI

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CAS Number	18588-61-9
Catalog Number	AG007SSI(AGN-PC-0JNBQ0)
Chemical Name	2,4-Diaminopyrimidine-5-carboxylic acid
IUPAC Name	2,4-diaminopyrimidine-5-carboxylic acid
InChI	InChI=1S/C5H6N4O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)(H4,6,7,8,9)
InChI Key	GGZRCTWHSWYCFR-UHFFFAOYSA-N
MDL Number	MFCD09878517
Molecular Formula	C5H6N4O2
Molecular Weight	154.1267
NSC Number	9315
SMILES	O=C(C1=CN=C(N)N=C1N)O
Synonyms	2,4-Diaminopyrimidine-5-carboxylic acid, 18588-61-9, NSC9315, AC1L5BZQ, AC1Q1GO5, SCHEMBL8625804, CTK0H6762, DTXSID00278702, NSC-9315, MFCD09878517, ZINC31613702, AKOS006311401, QC-9676, RP21820, 2,4-Diamino-pyrimidine-5-carboxylic acid, AS-40738, EN000165, HC210525, SY014874, DB-065545, TR-032685, 4CH-022311, FT-0688920, ST24038607, Z2443, J3.574.882B, MFCD09878517 (95%), J-507097, C5H6N4O2, AR-1D3416, CID222670, ACN-051904, 2,4-Diaminopyrimidine-5-carboxylic acid, 97% - 1G 1g, 21457-21-6,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.049g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	154.129g/mol
Monoisotopic Mass	154.049g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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