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DiaAlk

CAT: 0931-T31413-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T31413-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2255307-83-4
Target
Others
Related Pathways
Others
Bioactivity
DiaAlk is a clickable, electrophilic diazene probe which enables capture and site-centric proteomic analysis of oxidative post-translational modification (OxiPTM) .
Smiles
O=C(/N=N/C(OC(CCOCC#C)(C)C)=O)OC(C)(C)C
Molecular Formula
C14H22N2O5
Molecular Weight
298.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2-methyl-4-prop-2-ynoxybutan-2-yl) N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
CAS Number2255307-83-4
PubChem CID164888197
IUPAC Name(2-methyl-4-prop-2-ynoxybutan-2-yl) N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
Molecular FormulaC14H22N2O5
Molecular Weight298.33
XLogP2.9
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity440
SMILES
CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)CCOCC#C
InChI
InChI=1S/C14H22N2O5/c1-7-9-19-10-8-14(5,6)21-12(18)16-15-11(17)20-13(2,3)4/h1H,8-10H2,2-6H3
InChIKey
XJQVERHFBNGDPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-methyl-4-prop-2-ynoxybutan-2-yl) N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
CAS: 2255307-83-4
CID: 164888197
Formula: C14H22N2O5
MW: 298.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.33
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass298.15287181
Monoisotopic Mass298.15287181
Topological Polar Surface Area86.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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