1-(3-Chlorobenzyl)piperidine-2-carboxylic acid
Basic information
- CAS
750557-49-4- Standard SMILES
O=C(O)C1CCCCN1Cc1cccc(Cl)c1- InChIKey
APHRDQGKMBNFQL-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO2
- Average molar mass
- 253.72 g/mol
- Monoisotopic mass
- 253.0869564
Names & identifiers
- Preferred name
- 1-(3-Chlorobenzyl)piperidine-2-carboxylic acid
- IUPAC
- 1-[(3-chlorophenyl)methyl]piperidine-2-carboxylic acid
- English name
- 1-[(3-Chlorophenyl)methyl]-2-piperidinecarboxylic acid
- Molecular formula
- C13H16ClNO2
- Molecular weight
- 253.72
Names & synonyms
1-(3-Chlorobenzyl)piperidine-2-carboxylic acid750557-49-41-[(3-chlorophenyl)methyl]piperidine-2-carboxylic Acid1-(3-Chlorobenzyl)-2-carboxypiperidineMFCD051745191-(3-Chlorobenzyl)piperidine-2-carboxylicacidSCHEMBL7814225DTXSID50404670AKOS009482725AB90601CS-04554921-[(3-Chlorophenyl)methyl]-2-piperidinecarboxylic acid
Show more names
2-Piperidinecarboxylic acid, 1-[(3-chlorophenyl)methyl]-
Database identifiers
- CAS
750557-49-4- PubChem CID
- 4593385
- DTXSID
DTXSID50404670
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 387 · 387.0±37.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.35 · 2.35±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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