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6961-60-0

Basic Information
CAS No.: 6961-60-0
Name: 9-Cycloheptylpurin-6-amine
Article Data: 3
Cas Database
Molecular Structure:
Molecular Structure of 6961-60-0 (9-Cycloheptylpurin-6-amine)
Formula: C12H17N5
Molecular Weight: 231.2969
Synonyms: 9H-purin-6-amine, 9-cycloheptyl-
EINECS: N/A
Density: 1.42 g/cm3
Melting Point: N/A
Boiling Point: 456.7 °C at 760 mmHg
Flash Point: 230 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: N/A
LogP: N/A
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    9-Cycloheptylpurin-6-amine cas 6961-60-0Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 9-Cycloheptylpurin-6-amine, with the CAS registry number of 6961-60-0, is also known as 9H-Purin-6-amine, 9-cycloheptyl-. This chemical's molecular formula is C12H17N5 and molecular weight is 231.296880. What's more, its IUPAC name is 9-Cycloheptylpurin-6-amine.

Physical properties about the 9-Cycloheptylpurin-6-amine are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 46.84 Å2; (7)Index of Refraction: 1.738; (8)Molar Refractivity: 65.23 cm3; (9)Molar Volume: 161.9 cm3; (10)Surface Tension: 61.6 dyne/cm; (11)Density: 1.42 g/cm3; (12)Flash Point: 230 °C; (13)Enthalpy of Vaporization: 71.67 kJ/mol; (14)Boiling Point: 456.7 °C at 760 mmHg; (15)Vapour Pressure: 1.58E-08 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Formamide with 9-Cycloheptylpurin-6-amine. The reaction temperature is 230 °C. The yield is about 42 %.

The 9-Cycloheptylpurin-6-amine can be obtained by Formamide and C11H19N5*H2O4S

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(c2ncn(c2nc1)C3CCCCCC3)N
(2) InChI: InChI=1/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
(3) InChIKey: FHZRSYFMJLJWBS-UHFFFAOYAU