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CAS No.: | 132945-78-9 |
---|---|
Name: | (S)-1-BOC-3-Cyanopyrrolidine |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C10H16N2O2 |
Molecular Weight: | 196.249 |
Synonyms: | 1-Pyrrolidinecarboxylicacid, 3-cyano-, 1,1-dimethylethyl ester, (S)-; |
Density: | 1.08 g/cm3 |
Boiling Point: | 307.9 °C at 760 mmHg |
Flash Point: | 140 °C |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 53.33000 |
LogP: | 1.70488 |
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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