b-Alanine, N-(2-ethoxy-2-oxoethyl)-, ethyl ester supplier

Name
N-(2-ETHOXY-2-OXOETHYL)-BETA-ALANINE ETHYL ESTER
EINECS
CAS No. 3783-61-7
Article Data69
CAS DataBase
Density 1.053 g/cm³
Solubility
Melting Point
Formula C₉H₁₇NO₄
Boiling Point 275.1 °C at 760 mmHg
Molecular Weight 203.238
Flash Point 120.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms b-Alanine, N-(carboxymethyl)-, diethyl ester(6CI,7CI,8CI);275: PN: US20070105806 PAGE: 26 claimed protein;279: PN: US20050107325PAGE: 127 claimed protein;371: PN: WO2006081192 PAGE: 64 claimed protein;Diethyl N-(carboxymethyl)-b-alanine;EthylN-(carboethoxyethyl)-b-aminopropionate;NSC 133476;
PSA 64.63000
LogP 0.48320

b-Alanine, N-(2-ethoxy-2-oxoethyl)-, ethyl ester Specification

The b-Alanine, N-(2-ethoxy-2-oxoethyl)-, ethyl ester, with the CAS registry number 3783-61-7, is also known as b-Alanine, N-(carboxymethyl)-, diethyl ester(6CI,7CI,8CI) and Diethyl N-(carboxymethyl)-b-alanine. This chemical's molecular formula is C₉H₁₇NO₄and molecular weight is 203.23558. What's more, its IUPAC name is Ethyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoate.

Physical properties about the b-Alanine, N-(2-ethoxy-2-oxoethyl)-, ethyl ester are: (1) ACD/LogP: 1.37; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 5; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 9; (6) Polar Surface Area: 55.84Å²; (7) Index of Refraction: 1.44; (8) Molar Refractivity: 50.88 cm³; (9) Molar Volume: 192.8 cm³; (10) Polarizability: 20.17×10^-24cm³; (11) Surface Tension: 34.5 dyne/cm; (12) Density: 1.053 g/cm³; (13) Flash Point: 120.2 °C; (14) Enthalpy of Vaporization: 51.36 kJ/mol; (15) Boiling Point: 275.1 °C at 760 mmHg; (16) Vapour Pressure: 0.00519 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CCNCC(=O)OCC
(2) InChI: InChI=1/C9H17NO4/c1-3-13-8(11)5-6-10-7-9(12)14-4-2/h10H,3-7H2,1-2H3
(3) InChIKey: JHFQLFGNGSHVGQ-UHFFFAOYAH

Product Name

N-(2-ETHOXY-2-OXOETHYL)-BETA-ALANINE ETHYL ESTER

b-Alanine, N-(2-ethoxy-2-oxoethyl)-, ethyl ester Specification

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