6H-Purin-6-one,2-amino-1,9-dihydro-8-methyl- supplier

Name
8-METHYLGUANINE
EINECS
CAS No. 23662-75-1
Article Data2
CAS DataBase
Density 1.96 g/cm³
Solubility
Melting Point
Formula C₆H₇N₅O
Boiling Point 574.1 °C at 760 mmHg
Molecular Weight 165.154
Flash Point 301 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6H-Purin-6-one,2-amino-1,7-dihydro-8-methyl- (9CI);Guanine, 8-methyl- (6CI,7CI,8CI);8-Methylguanine;NSC 22745;
PSA 100.45000
LogP 0.11800

6H-Purin-6-one,2-amino-1,9-dihydro-8-methyl- Specification

The CAS registry number of 6H-Purin-6-one,2-amino-1,9-dihydro-8-methyl- is 23662-75-1. This chemical is also named as Guanine, 8-methyl-. In addition, its molecular formula is C₆H₇N₅O and molecular weight is 165.1527. Its IUPAC name is called 2-amino-8-methyl-3,7-dihydropurin-6-one.

Physical properties about 6H-Purin-6-one,2-amino-1,9-dihydro-8-methyl- are: (1)ACD/LogP: -1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.93; (8)ACD/KOC (pH 7.4): 1.97; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.925; (13)Molar Refractivity: 39.89 cm³; (14)Molar Volume: 84.1 cm³; (15)Surface Tension: 92.4 dyne/cm; (16)Density: 1.96 g/cm³; (17)Flash Point: 301 °C; (18)Enthalpy of Vaporization: 86.02 kJ/mol; (19)Boiling Point: 574.1 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/N=C(\Nc1nc(nc12)C)N
(2)InChI: InChI=1/C6H7N5O/c1-2-8-3-4(9-2)10-6(7)11-5(3)12/h1H3,(H4,7,8,9,10,11,12)
(3)InChIKey: DJGMEMUXTWZGIC-UHFFFAOYAG

Product Name

8-METHYLGUANINE

6H-Purin-6-one,2-amino-1,9-dihydro-8-methyl- Specification

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