3-fluoropiperidine hydrochloride

• ChemBase ID: 10759
• Molecular Formular: C5H11ClFN
• Molecular Mass: 139.5989432
• Monoisotopic Mass: 139.05640526
• SMILES: C1CNCC(C1)F.Cl
• Canonical SMILES: FC1CCCNC1.Cl
• InChI: InChI=1S/C5H10FN.ClH/c6-5-2-1-3-7-4-5;/h5,7H,1-4H2;1H
• InChIKey: RDJUBLSLAULIAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoropiperidine hydrochloride
• IUPAC Traditional name: 3-fluoropiperidine hydrochloride
• Synonyms: 3-Fluoropiperidine hydrochloride; 3-Fluoropiperidine hydrochloride; 3-氟哌啶

Database IDs

• CAS Number: 116574-75-5
• MDL Number: MFCD03452799
• PubChem SID: 160974066; 24885542
• PubChem CID: 2759156

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4868202
• LogD (pH = 7.4): -0.9195281
• Log P: 0.47367582
• Molar Refractivity: 26.5048 cm^3
• Polarizability: 10.443085 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 °C (dec.)(lit.); 204(dec.)°C; ca 227°C
• Hydrophobicity(logP): 0.778

Safety Information

• Storage Warning: Harmful/Irritant/Moisture Sensitive/Store under Argon/Keep Cold; IRRITANT, AIR SENSITIVE
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H10FN · HCl

DETAILS

Sigma Aldrich - 680168

Packaging
1 g in glass bottle
250 mg in glass bottle