ethanamine hydrochloride

• ChemBase ID: 146358
• Molecular Formular: C2H8ClN
• Molecular Mass: 81.54462
• Monoisotopic Mass: 81.03452694
• SMILES: CCN.Cl
• Canonical SMILES: CCN.Cl
• InChI: InChI=1S/C2H7N.ClH/c1-2-3;/h2-3H2,1H3;1H
• InChIKey: XWBDWHCCBGMXKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethanamine hydrochloride
• IUPAC Traditional name: ethylamine hydrochloride
• Synonyms: Ethylamine hydrochloride; 乙胺 盐酸盐

Database IDs

• CAS Number: 557-66-4
• EC Number: 209-182-8
• MDL Number: MFCD00012885
• Beilstein Number: 3589312
• PubChem SID: 162240556; 24845411; 24853934; 24845412
• PubChem CID: 11198

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.2930596
• LogD (pH = 7.4): -2.885711
• Log P: -0.26865092
• Molar Refractivity: 14.6674 cm^3
• Polarizability: 5.9539757 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107-108 °C(lit.)

Safety Information

• RTECS: KH2495000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• 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: ≥98.0% (AT); ≥99.0% (AT); 98%
• Grade: puriss.; purum
• Quality: crystallized
• Linear Formula: C2H5NH2 · HCl

DETAILS

Sigma Aldrich - 232831

Packaging
5, 100, 500 g in glass bottle