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(R)-2-(Methoxydiphenylmethyl)pyrrolidine

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Name

(R)-2-(Methoxydiphenylmethyl)pyrrolidine

EINECS N/A
CAS No. 948595-05-9 Density 1.07 g/cm3
PSA 21.26000 LogP 3.65740
Solubility N/A Melting Point N/A
Formula C18H21NO Boiling Point 368.7 °C at 760 mmHg
Molecular Weight 267.36 Flash Point 157.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 948595-05-9 ((R)-2-(Methoxydiphenylmethyl)pyrrolidine) Hazard Symbols HarmfulXn
Synonyms

(R)-2-(Methoxydiphenylmethyl)pyrrolidine;(R)-2-(MethoxydiphenylMethyl)pyrrolidine 95% (HPLC)

Article Data 1

(R)-2-(Methoxydiphenylmethyl)pyrrolidine Specification

The (R)-2-(Methoxydiphenylmethyl)pyrrolidine is an organic compound with the formula C18H21NO. The systematic name of this chemical is (2R)-2-[methoxy(diphenyl)methyl]pyrrolidine. The CAS registry number is 948595-05-9. The product's categories are asymmetric synthesis, chiral catalysts, ligands and reagents, proline-based organocatalysts. It is harmful if swallowed.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.07; (7)ACD/KOC (pH 5.5): 3.31; (8)ACD/KOC (pH 7.4): 5.61; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 81.3 cm3; (14)Molar Volume: 249.8 cm3; (15)Polarizability: 32.23×10-24 cm3; (16)Surface Tension: 40.3 dyne/cm; (17)Enthalpy of Vaporization: 61.54 kJ/mol; (18)Vapour Pressure: 1.25E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES: O(C)C(c1ccccc1)(c2ccccc2)[C@@H]3NCCC3;
2. InChI: InChI=1/C18H21NO/c1-20-18(17-13-8-14-19-17,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,19H,8,13-14H2,1H3/t17-/m1/s1.

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