(R)-(+)-2-(Diphenylhydroxymethyl)pyrrolidine

Details:

1.Introduction of 22348-32-9

(R)-(+)-2-(Diphenylhydroxymethyl)pyrrolidine has the CAS registry number of 22348-32-9 and systematic name of diphenyl[(2R)-2-pyrrolidinyl]methanol. This kind of off-white to white powder procuced by our factory has purity of 99.0% in high quality. It belongs to product categories of pharmacetical, chiral, chiral compounds, chiral reagent, chiral Reagents, benzenes, asymmetric synthesis, chiral building blocks, simple alcohols (chiral), synthetic organic chemistry, chiral chemicals, chiral chemicals, peptide and pharmaceutical intermediate.

2.Properties of 22348-32-9

ACD/LogP: 3.082
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -0.01
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/KOC (pH 7.4): 2.30
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
Polar Surface Area: 32.26  ²
Index of Refraction: 1.597
Molar Refractivity: 76.467 cm³
Molar Volume: 224.504 cm³
Polarizability: 30.314 10-24cm³
Surface Tension: 46.7060012817383 dyne/cm
Density: 1.128 g/cm³
Flash Point: 133.34 °C
Enthalpy of Vaporization: 69.992 kJ/mol
Boiling Point: 411.345 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 22348-32-9

(1)InChI: InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,
14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,
12-13H2/t16-/m1/s1
(2)InChIKey: OGCGXUGBDJGFFY-MRXNPFEDSA-N
(3)Canonical SMILES : C1CC(NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
(4)Isomeric SMILES: C1C[C@@H](NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

4.Safety Information of 22348-32-9

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36-37/39
WGK Germany: 3
F: 10-34