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2-Cyano-n-propylacetamide

CAT: 0127-OR1041537-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1041537-01Size:250 mg
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CAS Number
52493-35-3
MDL Number
MFCD02176952
Purity
97%
Smiles
CCCNC(CC#N)=O

Chemical Information

2-cyano-N-propylacetamide
CAS Number52493-35-3
PubChem CID4429965
IUPAC Name2-cyano-N-propylacetamide
Molecular FormulaC6H10N2O
Molecular Weight126.16
XLogP0.3
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity133
SMILES
CCCNC(=O)CC#N
InChI
InChI=1S/C6H10N2O/c1-2-5-8-6(9)3-4-7/h2-3,5H2,1H3,(H,8,9)
InChIKey
QXWFLDZVDBAJAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-cyano-N-propylacetamide
CAS: 52493-35-3
CID: 4429965
Formula: C6H10N2O
MW: 126.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.16
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass126.079312947
Monoisotopic Mass126.079312947
Topological Polar Surface Area52.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity133
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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sc-2747952-cyano-N-propylacetamide
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