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Acetyl-D,L-diethylalanine

CAT: 0572-TRC-A173630-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A173630-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14328-53-1
Hazard Statement
No Data Available
Smiles
CCC(CC)C(NC(=O)C)C(=O)O
Molecular Formula
C9 H17 N O3
Molecular Weight
187.24
InChI
InChI=1S/C9H17NO3/c1-4-7(5-2)8(9(12)13)10-6(3)11/h7-8H,4-5H2,1-3H3,(H,10,11)(H,12,13)
Additionnal Information
IUPAC name: 2-acetamido-3-ethylpentanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Acetyl-D,L-diethylalanine
CAS Number14328-53-1
PubChem CID46779978
IUPAC Name2-acetamido-3-ethylpentanoic acid
Molecular FormulaC9H17NO3
Molecular Weight187.24
XLogP1.2
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity187
SMILES
CCC(CC)C(C(=O)O)NC(=O)C
InChI
InChI=1S/C9H17NO3/c1-4-7(5-2)8(9(12)13)10-6(3)11/h7-8H,4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKey
XJDXSXZKSZKROX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetyl-D,L-diethylalanine
CAS: 14328-53-1
CID: 46779978
Formula: C9H17NO3
MW: 187.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.24
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass187.12084340
Monoisotopic Mass187.12084340
Topological Polar Surface Area66.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity187
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-218214β, β-Diethylalanine
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