1-(2-chloro-7H-purin-6-yl)piperidine-4-carboxylic acid
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Basic information
- CAS
919736-51-9- Standard SMILES
O=C(O)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1- InChIKey
UNANAGYRIFIIJZ-UHFFFAOYSA-N- Molecular formula
- C11H12ClN5O2
- Average molar mass
- 281.7 g/mol
Names & identifiers
- Preferred name
- 1-(2-chloro-7H-purin-6-yl)piperidine-4-carboxylic acid
- IUPAC
- 1-(2-chloro-7H-purin-6-yl)piperidine-4-carboxylic acid
- English name
- 1-(2-Chloro-9H-purin-6-yl)-piperidine-4-carboxylic acid
- Molecular formula
- C11H12ClN5O2
- Molecular weight
- 281.7
Names & synonyms
1-(2-chloro-7H-purin-6-yl)piperidine-4-carboxylic acid919736-51-91-(2-chloro-9H-purin-6-yl)piperidine-4-carboxylic acidEiM08-13750MFCD09790694STK627639AKOS005560332AKOS015955418VS-105341-(2-chloro-9h-purin-6-yl)-piperidine-4-carboxylic acid1-(2-CHLORO-9H-PURIN-6-YL)-4-PIPERIDINECARBOXYLIC ACID4-Piperidinecarboxylic acid, 1-(2-chloro-9H-purin-6-yl)-
Database identifiers
- CAS
919736-51-9
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Density
- 1.582 · 1.582±0.06 g/cm3(Predicted)
- pka
- 4.33 · 4.33±0.20(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22
- hazard_code
- Xn
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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