(2H5)ethan-1-amine

• ChemBase ID: 134938
• Molecular Formular: C2H7N
• Molecular Mass: 45.08368
• Monoisotopic Mass: 45.05784923
• SMILES: CCN
• Canonical SMILES: CCN
• InChI: InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
• InChIKey: QUSNBJAOOMFDIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)ethan-1-amine
• IUPAC Traditional name: (^2H₅)ethanamine
• Synonyms: Ethyl-d5-amine; 氨基乙烷-d5

Database IDs

• MDL Number: MFCD00190442
• PubChem SID: 162229213
• PubChem CID: 140260

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

• Mass Shift: M+5

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 99 atom % D
• Linear Formula: CD3CD2NH2

DETAILS

Sigma Aldrich - 613800

Packaging
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.