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Diethyl sym-hydrazinedicarboxylate

CAT: 0286-D23270-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-D23270-01Size:25 g
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CAS Number
4114-28-7
Synonyms
Diethyl-1,2-hydrazinedicarboxylate; Ethyl hydrazodicarboxylate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009101
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1,2-Hydrazinedicarboxylic acid, 1,2-diethyl ester
CAS Number4114-28-7
PubChem CID77758
IUPAC Nameethyl N-(ethoxycarbonylamino)carbamate
Molecular FormulaC6H12N2O4
Molecular Weight176.17
XLogP0.6
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity142
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
Chemical Structure
2D Structure
2D structure of 1,2-Hydrazinedicarboxylic acid, 1,2-diethyl ester
CAS: 4114-28-7
CID: 77758
Formula: C6H12N2O4
MW: 176.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.17
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass176.07970687
Monoisotopic Mass176.07970687
Topological Polar Surface Area76.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity142
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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