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2-Ethyl-2-phenylmalonamide

CAT: 0572-TRC-E925455-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E925455-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7206-76-0
Synonyms
2-Ethyl-2-phenylmalondiamide
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CCC(C(=O)N)(C(=O)N)c1ccccc1
Molecular Formula
C11 H14 N2 O2
Molecular Weight
206.24
InChI
InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)
Additionnal Information
IUPAC name: 2-ethyl-2-phenylpropanediamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phenylethylmalonamide

Phenylethylmalonamide is an amine.

CAS Number7206-76-0
PubChem CID23611
IUPAC Name2-ethyl-2-phenylpropanediamide
Molecular FormulaC11H14N2O2
Molecular Weight206.24
XLogP0.1
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity243
SMILES
CCC(C1=CC=CC=C1)(C(=O)N)C(=O)N
InChI
InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)
InChIKey
JFZHPFOXAAIUMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenylethylmalonamide
CAS: 7206-76-0
CID: 23611
Formula: C11H14N2O2
MW: 206.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight206.24
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass206.105527694
Monoisotopic Mass206.105527694
Topological Polar Surface Area86.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity243
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