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246543-68-0

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Basic Information
CAS No.: 246543-68-0
Name: 8-Oxabicyclo[3.2.1]octane-3-carboxylicacid,3-amino-,ethylester(9CI)
Molecular Structure:
Molecular Structure of 246543-68-0 (8-Oxabicyclo[3.2.1]octane-3-carboxylicacid,3-amino-,ethylester(9CI))
Formula: C10H17NO3
Molecular Weight: 199.24700
Synonyms: Ethyl 3-amino-8-oxabicyclo3.2.1octane-3-carboxylate
Density: 1.144 g/cm3
Boiling Point: 281.182 ºC at 760 mmHg
Flash Point: 113.287 ºC
PSA: 61.55000
LogP: 1.28870
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Specification

The cas register number of 3-Amino-8-oxabicyclo[3.2.1]octane-3-carboxylic acid ethyl ester is 246543-68-0. The Systematic name about this chemical is ethyl 3-amino-8-oxabicyclo[3.2.1]octane-3-carboxylate.

Physical properties about 3-Amino-8-oxabicyclo[3.2.1]octane-3-carboxylic acid ethyl ester are: (1)ACD/LogP: 0.56 ; (2)ACD/LogD (pH 7.4): 0.455 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1.235; (5)ACD/KOC (pH 5.5): 2.226; (6)ACD/KOC (pH 7.4): 37.884; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 61.55Å2; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 50.981 cm3; (13)Molar Volume: 174.116 cm3; (14)Surface Tension: 40.52 dyne/cm; (15)Density: 1.144 g/cm3; (16)Flash Point: 113.287 °C; (17)Enthalpy of Vaporization: 51.997 kJ/mol; (18)Boiling Point: 281.182 °C at 760 mmHg; (19)Vapour Pressure: 0.004 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: CCOC(=O)C1(CC2CCC(C1)O2)N
2.InChI: InChI=1/C10H17NO3/c1-2-13-9(12)10(11)5-7-3-4-8(6-10)14-7/h7-8H,2-6,11H2,1H3 
3.InChIKey: PIVZJIWZYJLYGX-UHFFFAOYAX
4.Std. InChI: InChI=1S/C10H17NO3/c1-2-13-9(12)10(11)5-7-3-4-8(6-10)14-7/h7-8H,2-6,11H2,1H3.