1-(5-Amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
Basic information
- CAS
882770-44-7- Standard SMILES
Nc1c(Cl)ncnc1N1CCC(C(=O)O)CC1- InChIKey
SZCQFEBGDRVOAE-UHFFFAOYSA-N- Molecular formula
- C10H13ClN4O2
- Average molar mass
- 256.69 g/mol
- Monoisotopic mass
- 256.0727034
Names & identifiers
- Preferred name
- 1-(5-Amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
- IUPAC
- 1-(5-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
- English name
- Iflab-bb F2124-0096
- Molecular formula
- C10H13ClN4O2
- Molecular weight
- 256.69
Names & synonyms
1-(5-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylic acid882770-44-7F2124-0096DTXSID404280621-(5-amino-6-chloro-pyrimidin-4-yl)piperidine-4-carboxylic AcidAKOS002666299CCG-290701EN300-238050F4951661-(5-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylicacidIflab-bb F2124-00964-Piperidinecarboxylic acid, 1-(5-amino-6-chloro-4-pyrimidinyl)-
Database identifiers
- CAS
882770-44-7- PubChem CID
- 7147170
- DTXSID
DTXSID40428062
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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