• ChemBase ID: 135011
• Molecular Formular: C4H11N
• Molecular Mass: 73.13684
• Monoisotopic Mass: 73.08914936
• SMILES: N(CC)CC
• Canonical SMILES: CCNCC
• InChI: InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
• InChIKey: HPNMFZURTQLUMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Diethylamine-N-d; 二乙胺-N-d1

Database IDs

• CAS Number: 997-11-5
• MDL Number: MFCD00190421
• PubChem SID: 162229286
• PubChem CID: 136781

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7150512
• LogD (pH = 7.4): -2.3893538
• Log P: 0.5207374
• Molar Refractivity: 24.1906 cm^3
• Polarizability: 9.648022 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -50 °C(lit.)
• Boiling Point: 55 °C(lit.)
• Flash Point: -23 °C; -9.4 °F
• Density: 0.717 g/mL at 25 °C
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• German water hazard class: 1
• Risk Statements: 11-20/21/22-35
• Safety Statements: 3-16-26-29-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H314-H332
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 74.13 by atom % calculation
• Linear Formula: (CH3CH2)2ND

DETAILS

Sigma Aldrich - 617091

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.