1H-Purine-2,6-dione,3,9-dihydro-8-methyl- supplier

Name
8-METHYLXANTHINE
EINECS 241-362-1
CAS No. 17338-96-4
Article Data13
CAS DataBase
Density 1.522 g/cm³
Solubility
Melting Point
Formula C₆H₆N₄O₂
Boiling Point
Molecular Weight 166.139
Flash Point
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Purine-2,6-dione,3,7-dihydro-8-methyl- (9CI);Xanthine, 8-methyl- (6CI,7CI,8CI);8-Methylxanthine;NSC 162389;NSC 22739;
PSA 94.40000
LogP -0.75210

1H-Purine-2,6-dione,3,9-dihydro-8-methyl- Specification

The 1H-Purine-2,6-dione,3,9-dihydro-8-methyl- is an organic compound with the formula C₆H₆N₄O₂. The IUPAC name of this chemical is 8-Methyl-3,7-dihydropurine-2,6-dione. With the CAS registry number 17338-96-4, it is also named as 2,6-Dihydroxy-8-methylpurine. Besides, its molecular weight is 166.14.

Physical properties about 1H-Purine-2,6-dione,3,9-dihydro-8-methyl- are: (1)ACD/LogP: -2.04; (2)ACD/LogD (pH 5.5): -2.04; (3)ACD/LogD (pH 7.4): -2.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.85; (7)ACD/KOC (pH 7.4): 1.81; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)Polar Surface Area: 58.44 Å²; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 38.12 cm³; (13)Molar Volume: 109.1 cm³; (14)Polarizability: 15.11×10^-24 cm³; (15)Surface Tension: 68.9 dyne/cm; (16)Density: 1.522 g/cm³.

When you are using this chemical, please be cautious about it as the following:
When you are using it, do not breathe dust, and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H6N4O2/c1-2-7-3-4(8-2)9-6(12)10-5(3)11/h1H3,(H3,7,8,9,10,11,12)
(2)InChIKey: RTAPDZBZLSXHQQ-UHFFFAOYAD
(3)Std. InChI: InChI=1S/C6H6N4O2/c1-2-7-3-4(8-2)9-6(12)10-5(3)11/h1H3,(H3,7,8,9,10,11,12)
(4)Std. InChIKey: RTAPDZBZLSXHQQ-UHFFFAOYSA-N

Product Name

8-METHYLXANTHINE

1H-Purine-2,6-dione,3,9-dihydro-8-methyl- Specification

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