Benzoic acid,4-[[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)methyl]amino]-

Modify Date: 2025-09-27 17:20:38

Benzoic acid,4-[[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)methyl]amino]- structure	Common Name	Benzoic acid,4-[[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)methyl]amino]-
	CAS Number	7000-61-5	Molecular Weight	329.31100
	Density	1.527g/cm3	Boiling Point	708.4ºC at 760mmHg
	Molecular Formula	C₁₅H₁₅N₅O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	382.2ºC

Name	4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid
Synonym	More Synonyms

Density	1.527g/cm3
Boiling Point	708.4ºC at 760mmHg
Molecular Formula	C₁₅H₁₅N₅O₄
Molecular Weight	329.31100
Flash Point	382.2ºC
Exact Mass	329.11200
PSA	122.01000
LogP	0.34360
Index of Refraction	1.709
InChIKey	ADUXQWIKSOSSDH-UHFFFAOYSA-N
SMILES	Cn1c(=O)c2[nH]c(CNc3ccc(C(=O)O)cc3)nc2n(C)c1=O

4-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-amino]-benzoic acid

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