N-(4-chlorophenyl)-5H-purin-6-amine
Basic information
- CAS
5450-44-2- Standard SMILES
Clc1ccc(NC2=NC=NC3=NC=NC32)cc1- InChIKey
YZJXGTZAHGFWPJ-UHFFFAOYSA-N- Molecular formula
- C11H8ClN5
- Average molar mass
- 245.67 g/mol
- Monoisotopic mass
- 245.046823
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-5H-purin-6-amine
- IUPAC
- N-(4-chlorophenyl)-5H-purin-6-amine
Names & synonyms
N-(4-chlorophenyl)-5H-purin-6-amine5450-44-2DTXSID70328223
Database identifiers
- CAS
5450-44-2- PubChem CID
- 408170
- DTXSID
DTXSID70328223
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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