9H-Purin-8-amine,N-methyl- supplier

Name
1H-Purin-8-amine, N-methyl- (9CI)
EINECS
CAS No. 23658-67-5
Density 1.476 g/cm³
Solubility
Melting Point 332-334 °C (decomp)
Formula C₆H₇N₅
Boiling Point 346.3 °C at 760 mmHg
Molecular Weight 149.155
Flash Point 163.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Purin-8-amine,N-methyl- (9CI);
PSA 66.49000
LogP 0.46760

9H-Purin-8-amine,N-methyl- Specification

The 9H-Purin-8-amine,N-methyl-, with the CAS registry number of 23658-67-5, is also known as 1H-Purin-8-amine, N-methyl- (9CI). It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₆H₇N₅ and molecular weight is 149.15. What's more, its IUPAC name is N-Methyl-7H-purin-8-amine.

Physical properties about the 9H-Purin-8-amine,N-methyl- are: (1)ACD/LogP: -1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.33; (4)ACD/LogD (pH 7.4): -1.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.77; (8)ACD/KOC (pH 7.4): 5.48; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.84 Å²; (13)Index of Refraction: 1.78; (14)Molar Refractivity: 42.41 cm³; (15)Molar Volume: 100.9 cm³; (16)Surface Tension: 91.1 dyne/cm; (17)Density: 1.476 g/cm³; (18)Flash Point: 163.2 °C; (19)Enthalpy of Vaporization: 59.04 kJ/mol; (20)Boiling Point: 346.3 °C at 760 mmHg; (21)Vapour Pressure: 5.82E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1cc2c(nc1)nc(n2)NC
(2) InChI: InChI=1/C6H7N5/c1-7-6-10-4-2-8-3-9-5(4)11-6/h2-3H,1H3,(H2,7,8,9,10,11)
(3) InChIKey: DNBMRENNZIQFFS-UHFFFAOYAE

Product Name

1H-Purin-8-amine, N-methyl- (9CI)

9H-Purin-8-amine,N-methyl- Specification

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