(3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine supplier

Name
(3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine
EINECS
CAS No. 429673-83-6
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₄N₂O₃
Boiling Point 424.6 °C at 760 mmHg
Molecular Weight 292.378
Flash Point 210.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl(3R,4R)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate;(3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine;
PSA 61.80000
LogP 2.08520

(3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine Specification

The (3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine with the CAS number 429673-83-6 is also called 1-Pyrrolidinecarboxylicacid, 3-hydroxy-4-[(phenylmethyl)amino]-, 1,1-dimethylethyl ester, (3R,4R)-. The systematic name is tert-butyl (3R,4R)-3-(benzylamino)-4-hydroxy-pyrrolidine-1-carboxylate. Its molecular formula is C₁₆H₂₄N₂O₃.

The properties of the (3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.61; (4)#H bond acceptors: 5; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 6; (7)Polar Surface Area: 61.8 Å²; (8)Index of Refraction: 1.564; (9)Molar Refractivity: 81.9 cm³; (10)Molar Volume: 251.7 cm³; (11)Polarizability: 32.46×10^-24cm³; (12)Surface Tension: 48.4 dyne/cm; (13)Enthalpy of Vaporization: 71.59 kJ/mol; (14)Vapour Pressure: 5.77×10^-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N2C[C@@H](NCc1ccccc1)[C@H](O)C2
(2)InChI: InChI=1/C16H24N2O3/c1-16(2,3)21-15(20)18-10-13(14(19)11-18)17-9-12-7-5-4-6-8-12/h4-8,13-14,17,19H,9-11H2,1-3H3/t13-,14-/m1/s1
(3)InChIKey: GVYATPKTSSTHKN-ZIAGYGMSBM

Product Name

(3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine

(3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine Specification

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