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

Name
6-AMINO-2-CHLORO-7-METHYLPURINE
EINECS
CAS No. 5453-10-1
Article Data9
CAS DataBase
Density 1.79 g/cm³
Solubility
Melting Point
Formula C₆H₆ClN₅
Boiling Point 315.6 °C at 760 mmHg
Molecular Weight 183.6
Flash Point 144.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Amino-2-chloro-7-methylpurine;
PSA 69.62000
LogP 1.18010

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

The 7H-Purin-6-amine,2-chloro-7-methyl-, with the CAS registry number 5453-10-1, is also known as 6-Amino-2-chloro-7-methylpurine. This chemical's molecular formula is C₆H₆ClN₅ and molecular weight is 183.6. What's more, its systematic name is called 2-Chloro-7-methylpurin-6-amine.

Physical properties about this chemical are: (1)ACD/LogP: 0.29; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.34; (8)ACD/KOC (pH 7.4): 34.39; (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: 1.821; (14)Molar Refractivity: 44.54 cm³; (15)Molar Volume: 102.2 cm³; (16)Surface Tension: 72.5 dyne/cm; (17)Density: 1.79 g/cm³; (18)Flash Point: 144.6 °C; (19)Enthalpy of Vaporization: 55.68 kJ/mol; (20)Boiling Point: 315.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000434 mmHg at 25 °C.

Uses of 7H-Purin-6-amine,2-chloro-7-methyl-: it is used to produce other chemicals. For example, it is used to produce 7-Methyl-2-pyrrolidin-1-yl-7H-purin-6-ylamine.

This reaction will occur at temperature of 125-130 °C for 3 hours. The yield is 59.5%.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc(c2c(n1)ncn2C)N
(2) InChI: InChI=1/C6H6ClN5/c1-12-2-9-5-3(12)4(8)10-6(7)11-5/h2H,1H3,(H2,8,10,11)
(3) InChIKey: COUCYQIHVPHAEM-UHFFFAOYAD

Product Name

6-AMINO-2-CHLORO-7-METHYLPURINE

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

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