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CAS No.: | 2898-02-4 |
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Name: | 2-(2,2-dimethylpyrrolidin-1-yl)propyl 2-cyclopentylpentanoate |
Molecular Structure: | |
Formula: | C19H35NO2 |
Molecular Weight: | 309.4867 |
Synonyms: | Cyclopentaneaceticacid, a-propyl-, 2-(2,2-dimethyl-1-pyrrolidinyl)propyl ester, hydrochloride(7CI,8CI);NSC 9100; |
Density: | 0.969 g/cm3 |
Boiling Point: | 386.7 °C at 760 mmHg |
Flash Point: | 124.1 °C |
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The 2-(2,2-Dimethyl-1-pyrrolidinyl)propyl 2-cyclopentylpentanoate, with the CAS registry number 2898-02-4, is also known as NSC9100. This chemical's molecular formula is C19H35NO2 and molecular weight is 309.4867. Its IUPAC name is called 2-(2,2-dimethylpyrrolidin-1-yl)propyl 2-cyclopentylpentanoate.
Physical properties of 2-(2,2-Dimethyl-1-pyrrolidinyl)propyl 2-cyclopentylpentanoate: (1)ACD/LogP: 5.85; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#Freely Rotating Bonds: 8; (5)Index of Refraction: 1.482; (6)Molar Refractivity: 91.11 cm3; (7)Molar Volume: 319 cm3; (8)Surface Tension: 34.6 dyne/cm; (9)Density: 0.969 g/cm3; (10)Flash Point: 124.1 °C; (11)Enthalpy of Vaporization: 63.57 kJ/mol; (12)Boiling Point: 386.7 °C at 760 mmHg; (13)Vapour Pressure: 3.46E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(C1CCCC1)C(=O)OCC(C)N2CCCC2(C)C
(2)InChI: InChI=1S/C19H35NO2/c1-5-9-17(16-10-6-7-11-16)18(21)22-14-15(2)20-13-8-12-19(20,3)4/h15-17H,5-14H2,1-4H3
(3)InChIKey: NTBPXKZNWNXUIX-UHFFFAOYSA-N