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((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol

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Name

((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol

EINECS N/A
CAS No. 848307-24-4 Density 1.058 g/cm3
PSA 32.26000 LogP 1.31070
Solubility N/A Melting Point N/A
Formula C11H15NO Boiling Point 316.1 °C at 760 mmHg
Molecular Weight 177.246 Flash Point 135.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 848307-24-4 (((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol) Hazard Symbols N/A
Synonyms

[(3R,4S)-4-Phenylpyrrolidin-3-yl]methanol;3-pyrrolidinemethanol, 4-phenyl-, (3R,4S)-;

Article Data 5

((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol Specification

The ((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol, with the CAS registry number 848307-24-4, has the systematic name of [(3R,4S)-4-phenylpyrrolidin-3-yl]methanol. And the molecular formula of the chemical is C11H15NO.

The characteristics of ((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol are as followings: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 32.26 Å2; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 52.46 cm3; (13)Molar Volume: 167.5 cm3; (14)Polarizability: 20.79×10-24cm3; (15)Surface Tension: 42.3 dyne/cm; (16)Density: 1.058 g/cm3; (17)Flash Point: 135.7 °C; (18)Enthalpy of Vaporization: 58.84 kJ/mol; (19)Boiling Point: 316.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000177 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc(cc1)C2CNCC2CO
(2)InChI: InChI=1/C11H15NO/c13-8-10-6-12-7-11(10)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t10-,11-/m1/s1
(3)InChIKey: MMDOXIYRYUVGPQ-GHMZBOCLBF

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