Diethylpropionamide

CAT: 1596-AR-P32960-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P32960-02Size:25 Units

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CAS Number

1114-51-8

Molecular Formula

C7H15NO

Molecular Weight

129.20

API Name

Propionic acid

Chemical Information

N,N-Diethylpropionamide

CAS Number	1114-51-8
PubChem CID	66191
IUPAC Name	N,N-diethylpropanamide
Molecular Formula	C7H15NO
Molecular Weight	129.20
XLogP	0.9
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	86

SMILES

CCC(=O)N(CC)CC

InChI

InChI=1S/C7H15NO/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3

InChIKey

YKOQQFDCCBKROY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1114-51-8

CID: 66191

Formula: C7H15NO

MW: 129.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	129.20
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	129.115364102
Monoisotopic Mass	129.115364102
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	86.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR918122-01	N, N-Diethylpropionamide