piperidine-2-carboxylic acid hydrochloride

• ChemBase ID: 137837
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: C1CCNC(C1)C(=O)O.Cl
• Canonical SMILES: OC(=O)C1CCCCN1.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h5,7H,1-4H2,(H,8,9);1H
• InChIKey: AUGDEGXARBUSFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-2-carboxylic acid hydrochloride
• IUPAC Traditional name: (+/-)-pipecolic acid hydrochloride
• Synonyms: 2-Piperidinecarboxylic acid hydrochloride; DL-Pipecolinic acid hydrochloride; 2-哌啶甲酸 盐酸盐; DL-哌啶甲酸 盐酸盐

Database IDs

• CAS Number: 5107-10-8
• MDL Number: MFCD00012771
• PubChem SID: 162232098
• PubChem CID: 85923

CALCULATED PROPERTIES

• Acid pKa: 2.0631034
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.124041
• LogD (pH = 7.4): -2.1243129
• Log P: -2.1239622
• Molar Refractivity: 32.6653 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263-266 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C6H11NO2 · HCl