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(R)-3-N-Cbz-aminopyrrolidine

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Name

(R)-3-N-Cbz-aminopyrrolidine

EINECS N/A
CAS No. 879275-77-1 Density 1.16 g/cm3
PSA 50.36000 LogP 1.99440
Solubility N/A Melting Point N/A
Formula C12H16N2O2 Boiling Point 382.5 °C at 760 mmHg
Molecular Weight 220.271 Flash Point 185.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 879275-77-1 ((R)-3-N-CBZ-AMINOPYRROLIDINE) Hazard Symbols N/A
Synonyms

Carbamicacid, (3R)-3-pyrrolidinyl-, phenylmethyl ester (9CI);

Article Data 4

(R)-3-N-Cbz-aminopyrrolidine Specification

The (R)-3-N-Cbz-aminopyrrolidine, with the CAS registry number 879275-77-1, has the systematic name of benzyl N-[(3R)-pyrrolidin-3-yl]carbamate. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C12H16N2O2.

The characteristics of (R)-3-N-Cbz-aminopyrrolidine are as followings: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 50.36 Å2; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 61.63 cm3; (9)Molar Volume: 189.3 cm3; (10)Polarizability: 24.43×10-24cm3; (11)Surface Tension: 46.5 dyne/cm; (12)Density: 1.16 g/cm3; (13)Flash Point: 185.1 °C; (14)Enthalpy of Vaporization: 63.09 kJ/mol; (15)Boiling Point: 382.5 °C at 760 mmHg; (16)Vapour Pressure: 4.69E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N[C@@H]2CCNC2
(2)InChI: InChI=1/C12H16N2O2/c15-12(14-11-6-7-13-8-11)16-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/t11-/m1/s1
(3)InChIKey: DSOICHFMGRBFCM-LLVKDONJBI

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