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(S)-1-N-Cbz-2-cyanopyrrolidine

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Name

(S)-1-N-Cbz-2-cyanopyrrolidine

EINECS N/A
CAS No. 63808-36-6 Density 1.208 g/cm3
PSA 53.33000 LogP 2.24908
Solubility N/A Melting Point 37-39 °C
Formula C13H14N2O2 Boiling Point 403.618 °C at 760 mmHg
Molecular Weight 230.266 Flash Point 197.902 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 63808-36-6 ((S)-1-N-CBZ-2-CYANO-PYRROLIDINE) Hazard Symbols N/A
Synonyms

1-Pyrrolidinecarboxylicacid, 2-cyano-, phenylmethyl ester, (S)-;(S)-1-(Benzyloxycarbonyl)pyrrolidine-2-carbonitrile;(S)-2-Cyanopyrrolidine-1-carboxylic acid benzyl ester;Benzyl(S)-2-cyanopyrrolidine-1-carboxylate;

Article Data 21

(S)-1-N-Cbz-2-cyanopyrrolidine Specification

The 1-Pyrrolidinecarboxylicacid, 2-cyano-, phenylmethyl ester, (2S)-, with the CAS registry number 63808-36-6, is also known as (S)-2-Cyano-pyrrolidine-1-carboxylic acid benzyl ester. This chemical's molecular formula is C13H14N2O2 and molecular weight is 230.266. Its systematic name is called benzyl (2S)-2-cyanopyrrolidine-1-carboxylate.

Physical properties of 1-Pyrrolidinecarboxylicacid, 2-cyano-, phenylmethyl ester, (2S)-: (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)Index of Refraction: 1.573; (13)Molar Refractivity: 62.782 cm3; (14)Molar Volume: 190.557 cm3; (15)Surface Tension: 52.847 dyne/cm; (16)Density: 1.208 g/cm3; (17)Flash Point: 197.902 °C; (18)Enthalpy of Vaporization: 65.494 kJ/mol; (19)Boiling Point: 403.618 °C at 760 mmHg; (20)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-/m0/s1
(3)InChIKey: AUVGQGIWVNDVSL-LBPRGKRZBM

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