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115956-03-1

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Basic Information
CAS No.: 115956-03-1
Name: 9-Azabicyclo[3.3.1]Nonane-9-Acetic Acid, 3-(Ethoxycarbonyl)-7-Oxo-, Ethyl Ester
Molecular Structure:
Molecular Structure of 115956-03-1 (9-Azabicyclo[3.3.1]Nonane-9-Acetic Acid, 3-(Ethoxycarbonyl)-7-Oxo-, Ethyl Ester)
Formula: C15H23NO5
Molecular Weight: 297.34682
Synonyms: 9-Azabicyclo[3.3.1]Nonane-9-Acetic Acid, 3-(Ethoxycarbonyl)-7-Oxo-, Ethyl Ester;3-(Ethoxycarbonyl)-7-oxo-9-azabicyclo[3.3.1]nonane-9-aceticacidethylester
Density: 1.16 g/cm3
Boiling Point: 410.627 °C at 760 mmHg
Flash Point: 202.14 °C
PSA: 72.91000
LogP: 0.86260
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  • 9-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(ethoxycarbonyl)-7-oxo-, ethyl ester

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    9-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(ethoxycarbonyl)-7-oxo-, ethyl ester

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  • 9-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(ethoxycarbonyl)-7-oxo-, ethyl ester

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  • 3-(Ethoxycarbonyl)-7-oxo-9-azabicyclo[3.3.1]nonane-9-acetic acid ethyl ester

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    3-(Ethoxycarbonyl)-7-oxo-9-azabicyclo[3.3.1]nonane-9-acetic acid ethyl ester

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  • 9-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(ethoxycarbonyl)-7-oxo-, ethyl ester

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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  • 9-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(ethoxycarbonyl)-7-oxo-, ethyl ester

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    9-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(ethoxycarbonyl)-7-oxo-, ethyl ester

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Specification

The 9-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(ethoxycarbonyl)-7-oxo-, ethyl ester, with its CAS registry number 115956-03-1, has the systematic name of ethyl 9-(2-ethoxy-2-oxoethyl)-7-oxo-9-azabicyclo[3.3.1]nonane-3-carboxylate. With the molecular foumula of C15H23NO5, its formula weight is 297.35.

The characteristics of 9-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(ethoxycarbonyl)-7-oxo-, ethyl ester are as follows: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 72.91 Å2; (7)Index of Refraction: 1.494; (8)Molar Refractivity: 74.594 cm3; (9)Molar Volume: 256.436 cm3; (10)Polarizability: 29.571×10-24cm3; (11)Surface Tension: 40.839 dyne/cm; (12)Density: 1.16 g/cm3; (13)Flash Point: 202.14 °C; (14)Enthalpy of Vaporization: 66.298 kJ/mol; (15)Boiling Point: 410.627 °C at 760 mmHg.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=C1CC2N(C(C1)CC(C(=O)OCC)C2)CC(=O)OCC
(2)InChI:InChI=1/C15H23NO5/c1-3-20-14(18)9-16-11-5-10(15(19)21-4-2)6-12(16)8-13(17)7-11/h10-12H,3-9H2,1-2H3
(3)InChIKey:JCXUVTNCQZYKOG-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C15H23NO5/c1-3-20-14(18)9-16-11-5-10(15(19)21-4-2)6-12(16)8-13(17)7-11/h10-12H,3-9H2,1-2H3
(5)Std. InChIKey:JCXUVTNCQZYKOG-UHFFFAOYSA-N