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CAS No.: | 22560-81-2 |
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Name: | Ethyl 3-amino-2-methylpropanoate |
Molecular Structure: | |
Formula: | C6H13NO2 |
Molecular Weight: | 131.17 |
Synonyms: | b-Alanine, 2-methyl-, ethyl ester(8CI);Ethyl 3-amino-2-methylpropanoate; |
Density: | 0.97 g/cm3 |
Boiling Point: | 177.5 °C at 760 mmHg |
Flash Point: | 50.3 °C |
PSA: | 52.32000 |
LogP: | 0.84460 |
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The Ethyl 3-amino-2-methylpropanoate with the cas number 22560-81-2 is also called Propanoic acid,3-amino-2-methyl-, ethyl ester. Its molecular formula is C6H13NO2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.64; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 35.11 cm3; (15)Molar Volume: 135.1 cm3; (16)Polarizability: 13.92×10-24cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Enthalpy of Vaporization: 41.38 kJ/mol; (19)Vapour Pressure: 1.04 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C)CN
(2)InChI: InChI=1/C6H13NO2/c1-3-9-6(8)5(2)4-7/h5H,3-4,7H2,1-2H3
(3)InChIKey: XBEVGFLLWVWHCF-UHFFFAOYAQ