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N-Ethylisobutyramide

CAT: 0572-TRC-E921230-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E921230-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2772-54-5
Hazard Statement
No Data Available
Smiles
CCNC(=O)C(C)C
Molecular Formula
C6 H13 N O
Molecular Weight
115.174
InChI
InChI=1S/C6H13NO/c1-4-7-6(8)5(2)3/h5H,4H2,1-3H3,(H,7,8)
Additionnal Information
IUPAC name: N-ethyl-2-methylpropanamide
Shipping Conditions
Room Temperature

Chemical Information

N-ethyl-2-methylpropanamide
CAS Number2772-54-5
PubChem CID528630
IUPAC NameN-ethyl-2-methylpropanamide
Molecular FormulaC6H13NO
Molecular Weight115.17
XLogP0.9
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity78
SMILES
CCNC(=O)C(C)C
InChI
InChI=1S/C6H13NO/c1-4-7-6(8)5(2)3/h5H,4H2,1-3H3,(H,7,8)
InChIKey
WQLQCNJDXCGKIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-ethyl-2-methylpropanamide
CAS: 2772-54-5
CID: 528630
Formula: C6H13NO
MW: 115.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.17
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass115.099714038
Monoisotopic Mass115.099714038
Topological Polar Surface Area29.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity78.6
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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