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Basic Information
CAS No.: 52304-36-6
Name: Ethyl butylacetylaminopropionate
Molecular Structure:
Molecular Structure of 52304-36-6 (Ethyl butylacetylaminopropionate)
Formula: C11H21NO3
Molecular Weight: 215.29
Synonyms: 3-[(N-butyl-N-acetyl)amino]propionicacid ethyl ester;AI 3-70763;BAAPE;Ethyl 3-(N-butylacetamido)propionate;IR3535;Merck 3535;Repellent 3535;
EINECS: 257-835-0
Density: 0.987 g/cm3
Melting Point: <-20°
Boiling Point: 314.8 °C at 760 mmHg
Flash Point: 144.2 °C
Risk Codes: 52
PSA: 46.61000
LogP: 1.58820
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  • ethyl N-acetyl-N-butyl-β-alaninate

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Chemistry

IUPAC Name: Ethyl 3-[acetyl(butyl)amino]propanoate 
Following is the structure of b-Alanine, N-acetyl-N-butyl-,ethyl ester (CAS NO.106312-36-1):
                 
Empirical Formula: C11H21NO3
Molecular Weight: 215.2893
EINECS: 257-835-0 
Index of Refraction: 1.449
Molar Refractivity: 58.53 cm3
Molar Volume: 217.9 cm3
Polarizability: 23.2 10-24cm3
Surface Tension: 33.7 dyne/cm
Density: 0.987 g/cm3
Flash Point: 144.2 °C
Enthalpy of Vaporization: 55.6 kJ/mol
Boiling Point: 314.8 °C at 760 mmHg
Vapour Pressure of b-Alanine, N-acetyl-N-butyl-,ethyl ester (CAS NO.106312-36-1): 0.000456 mmHg at 25 °C
Canonical SMILES: CCCCN(CCC(=O)OCC)C(=O)C
InChI: InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3
InChIKey: VZRKEAFHFMSHCD-UHFFFAOYSA-N

Specification

 b-Alanine, N-acetyl-N-butyl-,ethyl ester , its cas register number 52304-36-6. It also can be called Ethyl N-acetyl-N-butyl-beta-alaninate ; and Ethyl butylacetylaminopropionate .