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Octyl Maleimide

CAT: 0572-TRC-O290025-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-O290025-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4080-76-6
Hazard Statement
Fatal if swallowed; UN number: UN2928; Packing Group: II
Purity
>95% (HPLC)
Smiles
CCCCCCCCN1C(=O)C=CC1=O
Molecular Formula
C12 H19 N O2
Molecular Weight
209.28
InChI
InChI=1S/C12H19NO2/c1-2-3-4-5-6-7-10-13-11(14)8-9-12(13)15/h8-9H,2-7,10H2,1H3
Additionnal Information
IUPAC name: 1-octylpyrrole-2,5-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Octyl Maleimide
CAS Number4080-76-6
PubChem CID512829
IUPAC Name1-octylpyrrole-2,5-dione
Molecular FormulaC12H19NO2
Molecular Weight209.28
XLogP3.8
Topological Polar Surface Area37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count15
Formal Charge0
Complexity240
SMILES
CCCCCCCCN1C(=O)C=CC1=O
InChI
InChI=1S/C12H19NO2/c1-2-3-4-5-6-7-10-13-11(14)8-9-12(13)15/h8-9H,2-7,10H2,1H3
InChIKey
KIKBJYQCJJXCBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octyl Maleimide
CAS: 4080-76-6
CID: 512829
Formula: C12H19NO2
MW: 209.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.28
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass209.141578849
Monoisotopic Mass209.141578849
Topological Polar Surface Area37.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity240
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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