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Diisopropyl azodicarboxylate

CAT: 0926-FD05914-01Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-FD05914-01Size:0.5 Kg
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CAS Number
2446-83-5
Synonyms
DIAD; Azodiformic acid diisopropyl ester; Diisopropyl (E) -1,2-diazenedicarboxylate; Azodicarboxylic acid diisopropyl ester
MDL Number
MFCD00008875
Smiles
CC (C) OC (=O) /N=N/C (=O) OC (C) C
Molecular Formula
C8H14N2O4
Molecular Weight
202.21 g/mol
Controlled
No

Chemical Information

Diisopropyl azodicarboxylate
CAS Number2446-83-5
PubChem CID5363146
IUPAC Namepropan-2-yl (NE)-N-propan-2-yloxycarbonyliminocarbamate
Molecular FormulaC8H14N2O4
Molecular Weight202.21
XLogP2.6
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity211
SMILES
CC(C)OC(=O)/N=N/C(=O)OC(C)C
InChI
InChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3/b10-9+
InChIKey
VVWRJUBEIPHGQF-MDZDMXLPSA-N
Chemical Structure
2D Structure
2D structure of Diisopropyl azodicarboxylate
CAS: 2446-83-5
CID: 5363146
Formula: C8H14N2O4
MW: 202.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight202.21
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass202.09535693
Monoisotopic Mass202.09535693
Topological Polar Surface Area77.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes