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Isovaleramide

CAT: 1568-C09925-01Size: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C09925-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
541-46-8
Synonyms
3-Methylbutanamide
SKU
C09925-50mg
Target
Dehydrogenase
Applications
Metabolism
Smiles
CC (C) CC (=O) N
Molecular Formula
C5H11NO
Additionnal Information
Isovaleramide (3-Methylbutanamide) is an anticonvulsant molecule isolated from Valeriana pavonii, it inhibits the liver alcohol dehydrogenases.
Storage Conditions
2 years -80 in solvent

Chemical Information

3-Methylbutanamide

3-methyl-Butanamide is a carboximidic acid.

CAS Number541-46-8
PubChem CID10930
IUPAC Name3-methylbutanamide
Molecular FormulaC5H11NO
Molecular Weight101.15
XLogP0.4
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity68
SMILES
CC(C)CC(=O)N
InChI
InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
InChIKey
SANOUVWGPVYVAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylbutanamide
CAS: 541-46-8
CID: 10930
Formula: C5H11NO
MW: 101.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight101.15
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass101.084063974
Monoisotopic Mass101.084063974
Topological Polar Surface Area43.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity68.5
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

Alternative Products

CatalogName
S4116-50mgIsovaleramide
I11270Isovaleramide 95%
sc-486076N- (1-Methyl-3-phenylpropyl) isovaleramide

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