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Diethyl 2-Acetamidomalonate

CAT: 0572-TRC-D443130-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D443130-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1068-90-2
Synonyms
Propanedioic acid, 2-(acetylamino)-, 1,3-diethyl ester; Malonic acid, acetamido-, diethyl ester (6CI,7CI,8CI); Propanedioic acid, (acetylamino)-, diethyl ester (9CI); (Acetylamino)malonic acid diethyl ester; (Acetylamino)propanedioic acid diethyl ester; 2-(Acetylamino)propanedioic acid diethyl ester; 2-Acetylamino-malonic acid diethyl ester; Acetamidomalonic acid diethyl ester; Diethyl (N-acetylamino)malonate; Diethyl (acetylamino)malonate; Diethyl 2-(acetamido)propanedioate; Diethyl 2-(acetylamino)propanedioate; Diethyl 2-acetamidomalonate; Diethyl 2-acetylaminomalonate; Diethyl acetamidomalonate; Diethyl α-(acetylamino)malonate; NSC 7645
Hazard Statement
Causes skin irritation
Smiles
CCOC(=O)C(NC(=O)C)C(=O)OCC
Molecular Formula
C9 H15 N O5
Molecular Weight
217.22
InChI
InChI=1S/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)
Additionnal Information
IUPAC name: diethyl 2-acetamidopropanedioate
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Acetamidomalonic acid diethyl ester
CAS Number1068-90-2
PubChem CID14041
IUPAC Namediethyl 2-acetamidopropanedioate
Molecular FormulaC9H15NO5
Molecular Weight217.22
XLogP0.3
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count15
Formal Charge0
Complexity233
SMILES
CCOC(=O)C(C(=O)OCC)NC(=O)C
InChI
InChI=1S/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)
InChIKey
ISOLMABRZPQKOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetamidomalonic acid diethyl ester
CAS: 1068-90-2
CID: 14041
Formula: C9H15NO5
MW: 217.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.22
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass217.09502258
Monoisotopic Mass217.09502258
Topological Polar Surface Area81.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity233
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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Alternative Products

CatalogName
163793Diethyl 2-Acetamidomalonate
OR322235-01Diethyl acetamidomalonate
MBS6016291-01Diethyl 2-Ethyl-2-acetamidomalonate
SDA87734Diethyl acetamidomalonate-15N
009475Diethyl 2-Ethyl-2-acetamidomalonate-d3
446788-01Diethyl 2-Ethyl-2-acetamidomalonate-d5
MBS6089695-01Diethyl (6-Chloro-2-indolylmethyl)acetamidomalonate
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