(R)-1-Cbz-2-cyanopyrrolidine supplier

Name
(R)-1-CBZ-2-CYANO-PYRROLIDINE
EINECS
CAS No. 620601-77-6
Article Data4
CAS DataBase
Density 1.208 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₄N₂O₂
Boiling Point 403.618 °C at 760 mmHg
Molecular Weight 230.266
Flash Point 197.902 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-1-Cbz-2-cyano-pyrrolidine;
PSA 53.33000
LogP 2.24908

(R)-1-Cbz-2-cyanopyrrolidine Specification

The 1-Pyrrolidinecarboxylicacid, 2-cyano-, phenylmethyl ester, (2R)-, with the CAS registry number of 620601-77-6, is also known as (R)-1-Cbz-2-cyano-pyrrolidine. This chemical's molecular formula is C₁₃H₁₄N₂O₂ and molecular weight is 230.2625. What's more, its systematic name is called Benzyl (2R)-2-cyanopyrrolidine-1-carboxylate.

Physical properties about 1-Pyrrolidinecarboxylicacid, 2-cyano-, phenylmethyl ester, (2R)- are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 85; (8)ACD/KOC (pH 7.4): 85; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.33 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 62.782 cm³; (15)Molar Volume: 190.557 cm³; (16)Polarizability: 24.889×10^-24 cm³; (17)Surface Tension: 52.847 dyne/cm; (18)Density: 1.208 g/cm³; (19)Flash Point: 197.902 °C; (20)Enthalpy of Vaporization: 65.494 kJ/mol; (21)Boiling Point: 403.618 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#C[C@@H]2N(C(=O)OCc1ccccc1)CCC2
(2) InChI: InChI=1/C13H14N2O2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-8,10H2/t12-/m1/s1
(3) InChIKey: AUVGQGIWVNDVSL-GFCCVEGCBW

Product Name

(R)-1-CBZ-2-CYANO-PYRROLIDINE

(R)-1-Cbz-2-cyanopyrrolidine Specification

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