N'-(ethoxycarbonyl)ethoxycarbohydrazide

• ChemBase ID: 146126
• Molecular Formular: C6H12N2O4
• Molecular Mass: 176.17048
• Monoisotopic Mass: 176.07970687
• SMILES: CCOC(=O)NNC(=O)OCC
• Canonical SMILES: CCOC(=O)NNC(=O)OCC
• InChI: InChI=1S/C6H12N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
• InChIKey: JXMLAPZRDDWRRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(ethoxycarbonyl)ethoxycarbohydrazide
• IUPAC Traditional name: O-ethyl carbamate (urethane)
• Synonyms: 1,2-Dicarbethoxyhydrazine; Diethyl 1,2-hydrazinedicarboxylate; 1,2-二(乙氧羰基)肼; 1,2-肼二羧酸二乙酯

Database IDs

• CAS Number: 4114-28-7
• EC Number: 223-902-8
• MDL Number: MFCD00009101
• Beilstein Number: 1781585
• PubChem SID: 162240325; 24893924
• PubChem CID: 77758

CALCULATED PROPERTIES

• Acid pKa: 10.692596
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.33245835
• LogD (pH = 7.4): 0.33229107
• Log P: 0.3324605
• Molar Refractivity: 40.0762 cm^3
• Polarizability: 15.7718935 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131-133 °C(lit.)
• Boiling Point: 250 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: C2H5OCONHNHCOOC2H5

DETAILS

Sigma Aldrich - D51401

Packaging
25 g in glass bottle