(2S)-N-(naphthalen-2-yl)pyrrolidine-2-carboxamide hydrochloride

• ChemBase ID: 102932
• Molecular Formular: C15H17ClN2O
• Molecular Mass: 276.76128
• Monoisotopic Mass: 276.10294085
• SMILES: Cl.O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN1
• Canonical SMILES: O=C([C@@H]1CCCN1)Nc1ccc2c(c1)cccc2.Cl
• InChI: InChI=1S/C15H16N2O.ClH/c18-15(14-6-3-9-16-14)17-13-8-7-11-4-1-2-5-12(11)10-13;/h1-2,4-5,7-8,10,14,16H,3,6,9H2,(H,17,18);1H/t14-;/m0./s1
• InChIKey: UKXYCTFKKXKIPY-UQKRIMTDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-N-(naphthalen-2-yl)pyrrolidine-2-carboxamide hydrochloride
• IUPAC Traditional name: (2S)-N-(naphthalen-2-yl)pyrrolidine-2-carboxamide hydrochloride
• Synonyms: L-PROLINE-β-NAPHTHYLAMIDE HYDROCHLORIDE; L-Proline β-naphthylamide hydrochloride

Database IDs

• CAS Number: 97216-16-5
• MDL Number: MFCD00038937
• PubChem SID: 162090216; 24898192
• PubChem CID: 16218571

CALCULATED PROPERTIES

• Acid pKa: 13.230755
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.8412436
• LogD (pH = 7.4): 0.2794987
• Log P: 2.3266373
• Molar Refractivity: 72.7918 cm^3
• Polarizability: 29.089855 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45
• Safety Statements: 53-45
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H350
• GHS Precautionary statements: P201-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• Storage Temperature: -20°C

Product Information

• Purity: ≥99%

DETAILS

MP Biomedicals - 02119125

Hydrochloride

Sigma Aldrich - P1380

Biochem/physiol Actions
L-Proline β-naphthylamide is a substrate used for testing enzyme activity.