2-fluoroethan-1-amine hydrochloride

• ChemBase ID: 18457
• Molecular Formular: C2H7ClFN
• Molecular Mass: 99.5350832
• Monoisotopic Mass: 99.02510513
• SMILES: C(CN)F.Cl
• Canonical SMILES: NCCF.Cl
• InChI: InChI=1S/C2H6FN.ClH/c3-1-2-4;/h1-2,4H2;1H
• InChIKey: YRRZGBOZBIVMJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroethan-1-amine hydrochloride
• IUPAC Traditional name: 2-fluoroethanamine hydrochloride
• Synonyms: 2-Fluoroethylamine hydrochloride; 2-Fluoroethylamine hydrochloride; 2-Fluoroethylamine hydrochloride 90%; 2-FluoroethanaMine hydrochloride; 2-氟乙胺 盐酸盐

Database IDs

• CAS Number: 460-08-2
• EC Number: 207-302-3
• MDL Number: MFCD00008161
• PubChem SID: 160981764; 24866832
• PubChem CID: 9995

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.293215
• LogD (pH = 7.4): -1.8969549
• Log P: -0.4244691
• Molar Refractivity: 14.519 cm^3
• Polarizability: 5.687982 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99-103 °C(lit.); 99-103°C

Safety Information

• Storage Warning: IRRITANT, HYGROSCOPIC; Irritant/Hygroscopic
• RTECS: KR7570000
• German water hazard class: 3
• TSCA Listed: false

Product Information

• Purity: 90%; 97%
• Grade: technical grade
• Linear Formula: FCH2CH2NH2 · HCl

DETAILS

Sigma Aldrich - 429058

Packaging
1, 10 g in glass bottle