-
Name
2-(3-PHENYLPYRROLIDIN-3-YL)ETHANOL
- EINECS
- CAS No. 52423-63-9
- Article Data12
- CAS DataBase
- Density 1.048 g/cm3
- Solubility
- Melting Point 111 °C
- Formula C12H17NO
- Boiling Point 328.8 °C at 760 mmHg
- Molecular Weight 191.273
- Flash Point 128.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-(3-Phenylpyrrolidin-3-yl)ethanol;3-pyrrolidineethanol, 3-phenyl-;LogP
- PSA 32.26000
- LogP 1.62890
3-Phenyl-3-pyrrolidineethanol Specification
The 3-Phenyl-3-pyrrolidineethanol with its cas register number is 52423-63-9. The Systematic name about this chemical is 2-(3-phenylpyrrolidin-3-yl)ethanol.
Physical properties about 3-Phenyl-3-pyrrolidineethanol are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 2; (6) #H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 32.26Å2; (9)Index of Refraction: 1.537; (10)Molar Refractivity: 57 cm3; (11)Molar Volume: 182.4 cm3; (12)Polarizability: 22.59x10-24cm3; (13)Surface Tension: 44.6 dyne/cm; (14)Enthalpy of Vaporization: 60.3 kJ/mol; (15)Vapour Pressure: 7.45E-05 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: OCCC1(CCNC1)c2ccccc2
(2)InChI: InChI=1/C12H17NO/c14-9-7-12(6-8-13-10-12)11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
(3)InChIKey: JBGZJQULYGMJGT-UHFFFAOYAQ
Related Products
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