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Name |
Pyrrolidine, 2-(2,3-dimethoxyphenyl)- |
EINECS | N/A |
CAS No. | 383127-41-1 | Density | 1.052 g/cm3 |
PSA | 30.49000 | LogP | 2.45710 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H17NO2 | Boiling Point | 295.4 °C at 760 mmHg |
Molecular Weight | 207.27 | Flash Point | 120.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(2,3-Dimethoxyphenyl)pyrrolidine; |
The Pyrrolidine, 2-(2, 3-dimethoxyphenyl)- has CAS registry number 383127-41-1. This chemical's molecular formula is C12H17NO2 and molecular weight is 207.27. What's more, its systematic name is 2-(2, 3-Dimethoxyphenyl)pyrrolidine.
Physical properties about Pyrrolidine, 2-(2, 3-dimethoxyphenyl)- are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -1.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 59.59 cm3; (15)Molar Volume: 196.9 cm3; (16)Polarizability: 23.62×10-24 cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.052 g/cm3; (19)Flash Point: 120.6 °C; (20)Enthalpy of Vaporization: 53.51 kJ/mol; (21)Boiling Point: 295.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00153 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cccc(c1OC)C2NCCC2)C
(2) InChI: InChI=1/C12H17NO2/c1-14-11-7-3-5-9(12(11)15-2)10-6-4-8-13-10/h3,5,7,10,13H,4,6,8H2,1-2H3
(3) InChIKey: OEHUXEOLUCUQPE-UHFFFAOYAP