6-(Aziridin-1-yl)-9-benzyl-8-chloropurine
Basic information
- CAS
92291-24-2- Standard SMILES
Clc1nc2c(N3CC3)ncnc2n1Cc1ccccc1- InChIKey
RJZDHHLHTFYBIC-UHFFFAOYSA-N- Molecular formula
- C14H12ClN5
- Average molar mass
- 285.73 g/mol
- Monoisotopic mass
- 285.0781231
Names & identifiers
- Preferred name
- 6-(Aziridin-1-yl)-9-benzyl-8-chloropurine
- IUPAC
- 6-(aziridin-1-yl)-9-benzyl-8-chloropurine
Names & synonyms
92291-24-2NSC59331DTXSID80919262NSC-59331Purine, 6-aziridinyl-9-benzyl-8-chloro-,6-(Aziridin-1-yl)-9-benzyl-8-chloro-9H-purine
Database identifiers
- CAS
92291-24-2- PubChem CID
- 246374
- DTXSID
DTXSID80919262
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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