7H-Purin-2-amine,6-methoxy-7-methyl- supplier

Name
O(6),7-dimethylguanine
EINECS
CAS No. 116137-82-7
Article Data3
CAS DataBase
Density 1.56 g/cm³
Solubility
Melting Point
Formula C₇H₉N₅O
Boiling Point 450.5 °C at 760 mmHg
Molecular Weight 179.181
Flash Point 226.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms O(6),7-Dimethylguanine;6-Methoxy-7-methyl-7H-purin-2-amine;
PSA 79.58000
LogP -0.11580

7H-Purin-2-amine,6-methoxy-7-methyl- Specification

The 7H-Purin-2-amine,6-methoxy-7-methyl-, with the CAS registry number 116137-82-7, is also known as O(6),7-Dimethylguanine. This chemical's molecular formula is C₇H₉N₅O and molecular weight is 179.18. What's more, its systematic name is 6-Methoxy-7-methyl-7H-purin-2-amine.

Physical properties of 7H-Purin-2-amine,6-methoxy-7-methyl- are: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.17; (7)ACD/KOC (pH 7.4): 29.4; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 56.07 Å²; (12)Index of Refraction: 1.729; (13)Molar Refractivity: 45.75 cm³; (14)Molar Volume: 114.6 cm³; (15)Polarizability: 18.13×10^-24cm³; (16)Surface Tension: 60.4 dyne/cm; (17)Density: 1.56 g/cm³; (18)Flash Point: 226.3 °C; (19)Enthalpy of Vaporization: 70.94 kJ/mol; (20)Boiling Point: 450.5 °C at 760 mmHg; (21)Vapour Pressure: 2.62E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(OC)c2c(nc1N)ncn2C
(2)InChI: InChI=1S/C7H9N5O/c1-12-3-9-5-4(12)6(13-2)11-7(8)10-5/h3H,1-2H3,(H2,8,10,11)
(3)InChIKey: HJRGONPOSDLYMO-UHFFFAOYSA-N

Product Name

O(6),7-dimethylguanine

7H-Purin-2-amine,6-methoxy-7-methyl- Specification

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