2-(Propylamino)butyric Acid Ethyl Ester - CAS 90726-88-8
Catalog: |
BB058024 |
Product Name: |
2-(Propylamino)butyric Acid Ethyl Ester |
CAS: |
90726-88-8 |
Synonyms: |
ethyl 2-(propylamino)butanoate; 2-(Propylamino)butyric Acid Ethyl Ester |
IUPAC Name: | ethyl 2-(propylamino)butanoate |
Description: | 2-(propylamino)butyric Acid Ethyl Ester, can be used in the synthesis of several disubstituted sydnones, which can be used as a substructure in the stimulant drugs. |
Molecular Weight: | 173.25 |
Molecular Formula: | C9H19NO2 |
Canonical SMILES: | CCCNC(CC)C(=O)OCC |
InChI: | InChI=1S/C9H19NO2/c1-4-7-10-8(5-2)9(11)12-6-3/h8,10H,4-7H2,1-3H3 |
InChI Key: | XOKVXRFFHLNRER-UHFFFAOYSA-N |
References: | Dhawan, D. et al. J. Pharm. Sci., 53, 83 (1964). |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.141578849 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.141578849 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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