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Ethyl 2- (propylamino) acetate

CAT: 0926-QBA69396-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-QBA69396-01Size:1 g
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CAS Number
40693-96-7
MDL Number
MFCD09953139
Smiles
CCCNCC (=O) OCC
Molecular Formula
C7H15NO2
Molecular Weight
145.2 g/mol
Controlled
No

Chemical Information

Ethyl 2-(propylamino)acetate
CAS Number40693-96-7
PubChem CID13454968
IUPAC Nameethyl 2-(propylamino)acetate
Molecular FormulaC7H15NO2
Molecular Weight145.20
XLogP1
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
CCCNCC(=O)OCC
InChI
InChI=1S/C7H15NO2/c1-3-5-8-6-7(9)10-4-2/h8H,3-6H2,1-2H3
InChIKey
JJUSZJBGNONFQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(propylamino)acetate
CAS: 40693-96-7
CID: 13454968
Formula: C7H15NO2
MW: 145.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.20
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass145.110278721
Monoisotopic Mass145.110278721
Topological Polar Surface Area38.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.6
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
abx180735-01Ethyl 2-(Propylamino)Acetate
sc-351746AEthyl 2- (propylamino) acetate
sc-351822Methyl (propylamino) acetate
sc-327296Ethyl 3- (propylamino) propanoate
sc-331296N-Ethyl-3- (propylamino) propanamide
449126-01Ethyl 3-nitro-4- (propylamino) benzoate
164095Ethyl Acetate
449053-01Ethyl 3-amino-4- (propylamino) benzoate
sc-4763962- (Propylamino) butyric Acid Ethyl Ester

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