4-[N-(2,4-DIAMINO-6-PTERIDINYLMETHYL)-N-METHYLAMINO] BENZOIC ACID

Chemical Properties

Melting point	255 °C (dec.)(lit.)
Boiling point	689.3±65.0 °C(Predicted)
Density	1.532
storage temp.	2-8°C(protect from light)
solubility	Aqueous Base, DMSO
pka	4.63±0.10(Predicted)
form	Solid
color	Dark Yellow to Very Dark Brown
Stability	Hygroscopic
Major Application	pharmaceutical (small molecule)
InChI	1S/C15H15N7O2/c1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13/h2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21)
InChIKey	LWCXZSDKANNOAR-UHFFFAOYSA-N
SMILES	N(Cc2nc3c(nc(nc3N)N)nc2)(C)c1ccc(cc1)C(=O)O
CAS DataBase Reference	19741-14-1

Hazard Codes	Xi
Risk Statements	43-52/53
Safety Statements	36/37
WGK Germany	3
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 3 Oral Eye Irrit. 2 Muta. 2 Repr. 1B Skin Irrit. 2

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