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| Name |
9-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(ethoxycarbonyl)-7-oxo-, ethyl ester |
EINECS | N/A |
| CAS No. | 115956-03-1 | Density | 1.16 g/cm3 |
| PSA | 72.91000 | LogP | 0.86260 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H23NO5 | Boiling Point | 410.627 °C at 760 mmHg |
| Molecular Weight | 297.34682 | Flash Point | 202.14 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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 |
9-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(ethoxycarbonyl)-7-oxo-, ethyl ester 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
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