6H-Purin-6-one,2-amino-1,7-dihydro-7-methyl- supplier

Name
7-METHYLGUANINE
EINECS 209-431-0
CAS No. 578-76-7
Article Data32
CAS DataBase
Density 1.83 g/cm³
Solubility
Melting Point 370°C
Formula C₆H₇N₅O
Boiling Point 503.9 °C at 760 mmHg
Molecular Weight 165.154
Flash Point 258.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Guanine,7-methyl- (6CI,7CI,8CI);2-Amino-7-methylhypoxanthine;7-Methylguanine;N7-Methylguanine;NSC 193444;NSC 19647;
PSA 89.59000
LogP -0.18000

6H-Purin-6-one,2-amino-1,7-dihydro-7-methyl- Specification

The CAS registry number of 6H-Purin-6-one,2-amino-1,7-dihydro-7-methyl- is 578-76-7. It belongs to the product category of Nucleic acids. This chemical is also named as 2-Amino-7-methylhypoxanthine. The EINECS registry number of it is 209-431-0. In addition, its molecular formula is C₆H₇N₅O and molecular weight is 165.15. Its IUPAC name is called 2-amino-7-methyl-3H-purin-6-one. This chemical's classification code is Mutation data.

Physical properties about 6H-Purin-6-one,2-amino-1,7-dihydro-7-methyl- are: (1)ACD/LogP: -0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.17; (8)ACD/KOC (pH 7.4): 12.3; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.864; (13)Molar Refractivity: 40.79 cm³; (14)Molar Volume: 90.1 cm³; (15)Surface Tension: 86.6 dyne/cm; (16)Density: 1.83 g/cm³; (17)Flash Point: 258.6 °C; (18)Enthalpy of Vaporization: 77.33 kJ/mol; (19)Boiling Point: 503.9 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/N=C(\Nc1ncn(c12)C)N
(2)InChI: InChI=1/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
(3)InChIKey: FZWGECJQACGGTI-UHFFFAOYAT

Product Name

7-METHYLGUANINE

6H-Purin-6-one,2-amino-1,7-dihydro-7-methyl- Specification

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