(2H5)ethan-1-amine hydrochloride

• ChemBase ID: 151580
• 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: (^2H₅)ethan-1-amine hydrochloride
• IUPAC Traditional name: (^2H₅)ethanamine hydrochloride
• Synonyms: Ethyl-d5-amine hydrochloride; 氨基乙烷-d5 盐酸盐

Database IDs

• CAS Number: 284474-81-3
• MDL Number: MFCD00190443
• PubChem SID: 24872115; 162245733
• PubChem CID: 16213297

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.)
• Flash Point: -34.6 °F; -37 °C
• Mass Shift: M+5

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338

Product Information

• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 86.53 by atom % calculation
• Linear Formula: C2D5NH2·HCl

DETAILS

Sigma Aldrich - 485675

Packaging
5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.