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(S)-1-BOC-3-Cyanopyrrolidine

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Name

(S)-1-BOC-3-Cyanopyrrolidine

EINECS N/A
CAS No. 132945-78-9 Density 1.08 g/cm3
PSA 53.33000 LogP 1.70488
Solubility N/A Melting Point N/A
Formula C10H16N2O2 Boiling Point 307.9 °C at 760 mmHg
Molecular Weight 196.249 Flash Point 140 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 132945-78-9 ((S)-1-BOC-3-Cyanopyrrolidine) Hazard Symbols Xn
Synonyms

1-Pyrrolidinecarboxylicacid, 3-cyano-, 1,1-dimethylethyl ester, (S)-;

Article Data 7

(S)-1-BOC-3-Cyanopyrrolidine Chemical Properties

IUPAC Name:  tert-Butyl (3S)-3-cyanopyrrolidine-1-carboxylate
Synonyms of (S)-1-BOC-3-Cyanopyrrolidine (CAS NO.132945-78-9): tert-butyl (3S)-3-cyanopyrrolidine-1-carboxylate ; (S)-1-N-(tert-Butoxycarbonyl)-3-cyanopyrrolidine
CAS NO: 132945-78-9
Molecular Formula: C10H16N2O2 
Molecular Weight: 196.25 
Molecular Structure:
H bond acceptors:  4 
H bond donors:  0 
Freely Rotating Bonds:  2 
Polar Surface Area:  53.33Å2 
Index of Refraction:  1.488 
Molar Refractivity:  51.96 cm3 
Molar Volume:  180 cm3 
Surface Tension:  41.2 dyne/cm 
Density:  1.08 g/cm3 
Flash Point:  140 °C 
Enthalpy of Vaporization:  54.86 kJ/mol 
Boiling Point:  307.9 °C at 760 mmHg 
Vapour Pressure:  0.000703 mmHg at 25°C
Product Categories of (S)-1-BOC-3-Cyanopyrrolidine (CAS NO.132945-78-9): Pyrrole&Pyrrolidine&Pyrroline  
SMILES: O=C(OC(C)(C)C)N1C[C@@H](C#N)CC1
InChI: InChI=1/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3/t8-/m1/s1  
InChIKey: VDDMCMFPUSCJNA-MRVPVSSYBV 
Std. InChI: InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3/t8-/m1/s1
Std. InChIKey: VDDMCMFPUSCJNA-MRVPVSSYSA-N

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