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Basic Information
CAS No.: 27317-59-5
Name: ethyl 3-ethoxy-3-iminopropionate
Article Data: 25
Molecular Structure:
Molecular Structure of 27317-59-5 (ethyl 3-ethoxy-3-iminopropionate)
Formula: C7H13NO3
Molecular Weight: 159.185
Synonyms: Aceticacid, (1-ethoxyformimidoyl)-, ethyl ester (6CI);3-Ethoxy-3-iminopropionic acidethyl ester;Ethyl (1-ethoxyformimidoyl)acetate;Ethyl2-(ethoxycarbonyl)acetimidate;Ethyl 3-ethoxy-3-iminopropanoate;Ethyl3-ethoxy-3-iminopropionate;
EINECS: 248-400-6
Density: 1.05 g/cm3
Melting Point: 40oC
Boiling Point: 185.7 °C at 760 mmHg
Flash Point: 66.1 °C
PSA: 59.38000
LogP: 1.05310
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Specification

The CAS registry number of Propanoic acid,3-ethoxy-3-imino-, ethyl ester is 27317-59-5. This chemical is also named as Ethyl β-imino-β-ethoxypropionate. Its EINECS registry number is 248-400-6. In addition, its molecular formula is C7H13NO3 and molecular weight is 159.18302. Its IUPAC name is called ethyl 3-ethoxy-3-iminopropanoate.

Physical properties about Propanoic acid,3-ethoxy-3-imino-, ethyl ester are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.26; (7)ACD/KOC (pH 5.5): 7.32; (8)ACD/KOC (pH 7.4): 60.54; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.444; (13)Molar Refractivity: 39.97 cm3; (14)Molar Volume: 150.4 cm3; (15)Surface Tension: 33 dyne/cm; (16)Density: 1.05 g/cm3; (17)Flash Point: 66.1 °C; (18)Enthalpy of Vaporization: 42.19 kJ/mol; (19)Boiling Point: 185.7 °C at 760 mmHg; (20)Vapour Pressure: 0.688 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC(OCC)=[N@H]
(2)InChI: InChI=1/C7H13NO3/c1-3-10-6(8)5-7(9)11-4-2/h8H,3-5H2,1-2H3/b8-6-
(3)InChIKey: ZAKAONRTRWRIJT-VURMDHGXBZ