1,2-diethylhydrazine dihydrochloride

• ChemBase ID: 149280
• Molecular Formular: C4H14Cl2N2
• Molecular Mass: 161.07336
• Monoisotopic Mass: 160.05340382
• SMILES: CCNNCC.Cl.Cl
• Canonical SMILES: CCNNCC.Cl.Cl
• InChI: InChI=1S/C4H12N2.2ClH/c1-3-5-6-4-2;;/h5-6H,3-4H2,1-2H3;2*1H
• InChIKey: NMTDWUVFGOBBAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diethylhydrazine dihydrochloride
• IUPAC Traditional name: N,N'-diethylhydrazine dihydrochloride
• Synonyms: 1,2-Diethylhydrazine dihydrochloride; N,N'-Diethylhydrazine dihydrochloride; 1，2-二乙基肼 二盐酸盐; N,N'-二乙基肼二盐酸盐

Database IDs

• CAS Number: 7699-31-2
• MDL Number: MFCD00012523
• Beilstein Number: 3668380
• PubChem SID: 24853733; 162243448
• PubChem CID: 24372

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.773574
• LogD (pH = 7.4): 0.09094269
• Log P: 0.1271777
• Molar Refractivity: 48.7204 cm^3
• Polarizability: 10.95869 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 °C (dec.)(lit.); ca 169°C dec.

Safety Information

• RTECS: MV2295000
• European Hazard Symbols: Toxic (T); X
• German water hazard class: 3
• Risk Statements: 21/22-36/37/38; 45-20/21/22-36/37/38
• Safety Statements: 26-36/37; 53-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H335; H302-H312-H315-H319-H332-H335-H350
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P308 + P313; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Purity: tech. 90%
• Linear Formula: C2H5NHNHC2H5 · 2HCl

DETAILS

Sigma Aldrich - 229172

Packaging
5 g in glass bottle
Application
Reactant involved in:
• Bromopyridazinedione-mediated protein and peptide bioconjugation1
• Synthesis of human neutrophil proteinase 3 inhibitors2
• Three-component cascade processes for sythesis of aminoisoindolones and phthalazones3
• Stereoselective heterocyclization for synthesis of substituted hexahydropyrazolodiazepinecarboxylates4
• Synthesis of azacycloalkanes, isoindoles, pyrazole, pyrazolidine, and phthalazine derivatives5