1-(5-Amino-2-chloro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
Basic information
- CAS
890094-31-2- Standard SMILES
Cc1nc(Cl)nc(N2CCC(C(=O)O)CC2)c1N- InChIKey
AYZSZZGEUSOKRG-UHFFFAOYSA-N- Molecular formula
- C11H15ClN4O2
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.0883534
Names & identifiers
- Preferred name
- 1-(5-Amino-2-chloro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
- IUPAC
- 1-(5-amino-2-chloro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
- English name
- Iflab-bb F2124-0123
- Molecular formula
- C11H15ClN4O2
- Molecular weight
- 270.72
Names & synonyms
1-(5-amino-2-chloro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid890094-31-2DTXSID6011524981-(5-amino-2-chloro-6-methyl-pyrimidin-4-yl)piperidine-4-carboxylic AcidAKOS002666303AB91041EN300-238057F495168F2124-01231-(5-Amino-2-chloro-6-methyl-4-pyrimidinyl)-4-piperidinecarboxylic acid1-(5-amino-2-chloro-6-methylpyrimidin-4-yl)piperidine-4-carboxylicacidIflab-bb F2124-0123
Show more names
4-Piperidinecarboxylic acid, 1-(5-amino-2-chloro-6-methyl-4-pyrimidinyl)-
Database identifiers
- CAS
890094-31-2- PubChem CID
- 7147207
- DTXSID
DTXSID601152498
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 543.4 · 543.4±50.0 °C(Predicted)
- Density
- 1.418 · 1.418±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 4.24 · 4.24±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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