Basic information
- Name:
N-(6-Chloro-5H-purin-2-yl)acetamide
- Superlist Name:
- 2-Acetamido-6-chloropurine
- CAS No.:
7602-01-9
- Molecular Structure:
- Formula:
- C7H6ClN5O
- Molecular Weight:
- 211.61
- Synonyms:
- 2-(Acetylamino)-6-chloropurine;
- Density:
- 1.8 g/cm3
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Specification
The IUPAC name of this chemical is N-(6-Chloro-5H-purin-2-yl)acetamide. With the CAS registry number 7602-01-9, it is also named as 2-acetamido-6-chloropurine. In addition, the molecular formula is C7H6ClN5O and the molecular weight is 211.61. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about N-(6-chloro-5H-purin-2-yl)acetamide are: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 69.75 Å2; (7)Index of Refraction: 1.799; (8)Molar Refractivity: 50.24 cm3; (9)Molar Volume: 117.5 cm3; (10)Polarizability: 19.91 ×10-24cm3; (11)Surface Tension: 70.7 dyne/cm; (12)Density: 1.8 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(nc2ncnc12)NC(=O)C
(2)InChI: InChI=1/C7H6ClN5O/c1-3(14)11-7-12-5(8)4-6(13-7)10-2-9-4/h2H,1H3,(H2,9,10,11,12,13,14)
(3)InChIKey: RZZCIBFHZYEENN-UHFFFAOYAE