1,2-Hydrazinedicarboxylic acid, 1,2-diethyl ester

HCID 77758

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4114-28-7
Standard SMILES: CCOC(=O)NNC(=O)OCC
InChIKey: JXMLAPZRDDWRRV-UHFFFAOYSA-N
Molecular formula: C6H12N2O4
Average molar mass: 176.17 g/mol
Monoisotopic mass: 176.07970687

Names & identifiers

Preferred name: 1,2-Hydrazinedicarboxylic acid, 1,2-diethyl ester
IUPAC: ethyl N-(ethoxycarbonylamino)carbamate
English name: Diethyl hydrazodicarboxylate
Molecular formula: C6H12N2O4
Molecular weight: 176.17

Names & synonyms

Diethyl 1,2-hydrazinedicarboxylate1,2-Dicarbethoxyhydrazines-Dicarbethoxyhydrazinesym-DicarbethoxyhydrazineN,N'-Diethoxycarbonylhydrazine1,2-Bis(ethoxycarbonyl)hydrazineNSC 3002NSC 17295NSC 122715NSC 2274211,2-Hydrazinedicarboxylic acid, 1,2-diethyl esterEINECS 223-902-8

Show more names

diethyl hydrazine-1,2-dicarboxylateDIETHYL BICARBAMATEdiethyl hydrazodiformateETHYL HYDRAZODICARBOXYLATEN,N'-DICARBETHOXYHYDRAZINEN,N'-Dicarboethoxyhydrazinebis(ethoxycarbonyl)hydrazine

AI3-16138sDicarbethoxyhydrazine1,2dicarbethoxyhydrazineRefChem:412079N,N'Diethoxycarbonylhydrazine1,2Bis(ethoxycarbonyl)hydrazineDiethyl 1,2hydrazinedicarboxylate1,2Hydrazinedicarboxylic acid, diethyl ester

Database identifiers

CAS: 4114-28-7
PubChem CID: 77758
DTXSID: DTXSID6063307
UNII: JM7K3GHL4L
EC Number: 223-902-8
Nikkaji: J224.920K

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 142

Experimental & physicochemical properties

Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 131 · 131-133 °C(lit.)
Boiling point: 250 °C · 250 °C(lit.)
Density: 1.324 · 1.3240
refractive index: 1.45 · 1.4500 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
form: powder
pka: 8.81 · 8.81±0.43(Predicted)
Appearance: White to off-white Solid
BRN: 1781585 · 1781585
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
SMILES: CCOC(=O)NNC(=O)OCC
CAS DataBase Reference: 4114 · 4114-28-7(CAS DataBase Reference)
FDA UNII: 7 K3GHL4L · JM7K3GHL4L
EPA Substance Registry System: 1 · 1,2-Hydrazinedicarboxylic acid, diethyl ester (4114-28-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
Storage Class: 11 · 11 - Combustible Solids