9H-Purine, 2-iodo- supplier | CasNO.28128-16-7

Name
2-iodopurine
EINECS
CAS No. 28128-16-7
Density 2.374 g/cm³
Solubility
Melting Point
Formula C₅H₃IN₄
Boiling Point 563.6 °C at 760 mmHg
Molecular Weight 246.01
Flash Point 294.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Iodo-9H-purine;
PSA 54.46000
LogP 0.95750

9H-Purine, 2-iodo- Specification

The 9H-Purine, 2-iodo-, with the CAS registry number of 28128-16-7, is also known as 2-Iodo-9H-purine. It belongs to the product category of Purines. This chemical's molecular formula is C₅H₃IN₄. What's more, its systematic name is 2-Iodo-7H-purine.

Physical properties about the 9H-Purine, 2-iodo- are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 2.15; (6)ACD/BCF (pH 7.4): 1.86; (7)ACD/KOC (pH 5.5): 60.09; (8)ACD/KOC (pH 7.4): 51.95; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.835; (14)Molar Refractivity: 45.7 cm³; (15)Molar Volume: 103.6 cm³; (16)Surface Tension: 101.3 dyne/cm; (17)Density: 2.374 g/cm³; (18)Flash Point: 294.7 °C; (19)Enthalpy of Vaporization: 81.54 kJ/mol; (20)Boiling Point: 563.6 °C at 760 mmHg; (21)Vapour Pressure: 3.81E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1ncc2c(n1)ncn2
(2) InChI: InChI=1/C5H3IN4/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H,7,8,9,10)
(3) InChIKey: NXSCCFXPCOMUCV-UHFFFAOYAT

Product Name

2-iodopurine

9H-Purine, 2-iodo- Specification

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