(2H4)ethane-1,2-diamine

• ChemBase ID: 145981
• Molecular Formular: C2H8N2
• Molecular Mass: 60.09832
• Monoisotopic Mass: 60.06874827
• SMILES: C(CN)N
• Canonical SMILES: NCCN
• InChI: InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
• InChIKey: PIICEJLVQHRZGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₄)ethane-1,2-diamine
• IUPAC Traditional name: (^2H₄)ethane-1,2-diamine
• Synonyms: Ethylene-d4-diamine; 乙烯-d4-二胺

Database IDs

• CAS Number: 37164-19-5
• MDL Number: MFCD00190447
• PubChem SID: 162240181; 24866691
• PubChem CID: 12200820

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.91292
• LogD (pH = 7.4): -3.7797713
• Log P: -1.4224427
• Molar Refractivity: 17.8686 cm^3
• Polarizability: 7.4730473 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 9 °C(lit.)
• Boiling Point: 118 °C(lit.)
• Flash Point: 100.4 °F; 38 °C
• Density: 1.022 g/mL at 25 °C
• Refractive Index: n20/D 1.455(lit.)
• Mass Shift: M+4

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1604
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-21/22-34-42/43
• Safety Statements: 23-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302 + H312-H314-H317-H334
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 1604 8/PG 2

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 64.08 by atom % calculation
• Linear Formula: H2NCD2CD2NH2

DETAILS

Sigma Aldrich - 426245

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.