ethyl(2H2)amine

• ChemBase ID: 134572
• Molecular Formular: C2H7N
• Molecular Mass: 45.08368
• Monoisotopic Mass: 45.05784923
• SMILES: NCC
• Canonical SMILES: CCN
• InChI: InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
• InChIKey: QUSNBJAOOMFDIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(^2H₂)amine
• IUPAC Traditional name: ethyl(^2H₂)amine
• Synonyms: Ethylamine-N,N-d2; 乙胺-N,N-d2

Database IDs

• CAS Number: 5852-45-9
• MDL Number: MFCD00190441
• PubChem SID: 162228848; 24881105
• PubChem CID: 12203872

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

• Boiling Point: 16.6 °C(lit.)
• Flash Point: 1.4 °F; -17 °C
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Highly flammable (F+); Irritant (Xi)
• UN Number: 1036
• German water hazard class: 1
• Hazard Class: 2.1
• Risk Statements: 12-36/37
• Safety Statements: 16-26-29
• GHS Pictograms: GHS02; GHS04; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338-P410 + P403
• RID/ADR: UN 1036 2.1

Product Information

• Isotopic Purity: 99 atom % D
• Linear Formula: CH3CH2ND2

DETAILS

Sigma Aldrich - 586080

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.