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N-Ethyl propiolamide

CAT: 0127-OR315229-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR315229-01Size:100 mg
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CAS Number
2682-33-9
MDL Number
MFCD19217533
Purity
=95%
Smiles
CCNC(=O)C#C

Chemical Information

N-ethylprop-2-ynamide
CAS Number2682-33-9
PubChem CID15741339
IUPAC NameN-ethylprop-2-ynamide
Molecular FormulaC5H7NO
Molecular Weight97.12
XLogP0.4
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity108
SMILES
CCNC(=O)C#C
InChI
InChI=1S/C5H7NO/c1-3-5(7)6-4-2/h1H,4H2,2H3,(H,6,7)
InChIKey
FZJYKFBXZVSIRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-ethylprop-2-ynamide
CAS: 2682-33-9
CID: 15741339
Formula: C5H7NO
MW: 97.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight97.12
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass97.052763847
Monoisotopic Mass97.052763847
Topological Polar Surface Area29.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity108
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