CAS No.848307-24-4,((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	848307-24-4
Name:	((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol
Article Data:	5

Formula:	C₁₁H₁₅NO
Molecular Weight:	177.246
Synonyms:	[(3R,4S)-4-Phenylpyrrolidin-3-yl]methanol;3-pyrrolidinemethanol, 4-phenyl-, (3R,4S)-;
Density:	1.058 g/cm³
Boiling Point:	316.1 °C at 760 mmHg
Flash Point:	135.7 °C
PSA:	32.26000
LogP:	1.31070

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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