- InChI
- InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
- InChI Key
- ZKBQDFAWXLTYKS-UHFFFAOYSA-N
- Formula
- C5H3ClN4
- SMILES
- Clc1ncnc2[nH]cnc12
- Molecular Weight1
- 154.56
- CAS
- 87-42-3
- Other Names
-
- 1H-Purine, 6-chloro-
- 6-CP
- 6-Chloro-1H-purine
- 6-Chloro-9H-purine
- 6-Chlorpurine
- 6-chloro-7H-purine
- ClP
- NSC 744
- Purine, 6-chloro-
- SK 6048
- X 47
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 873.60 | kJ/mol | NIST |
| BasG | 841.70 | kJ/mol | NIST |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 0.524 | Crippen Calculated Property | |
| McVol | 94.550 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chloropurine.
Mixtures
- 6-Chloropurine + Methyl Alcohol + Water
- 6-Chloropurine + Ethanol + Water
- 6-Chloropurine + Formamide, N,N-dimethyl- + Water
- 6-Chloropurine + N,N-Dimethylacetamide + Water
- 6-Chloropurine + Water
- 6-Chloropurine + Methyl Alcohol
- 6-Chloropurine + Ethanol
- 6-Chloropurine + Formamide, N,N-dimethyl-
- 6-Chloropurine + N,N-Dimethylacetamide
Sources
- Crippen Method
- Crippen Method
- Solubility modelling, solvent effect and preferential solvation of 6-chloropurine in several aqueous co-solvent mixtures between 283.15 K and 328.15 K
- McGowan Method
- NIST Webbook
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