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IUPAC Name: Benzyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
Synonyms of (S)-1-CBZ-3-(hydroxymethyl)pyrrolidine (CAS NO.124391-76-0): (S)-1-CBZ-3-Hydroxymethylpyrrolidine ; (S)-1-CBZ-beta-prolinol
CAS NO: 124391-76-0
Molecular Formula: C13H17NO3
Molecular Weight: 235.279
Molecular Structure:
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 49.77 Å2
Index of Refraction: 1.561
Molar Refractivity: 63.68 cm3
Molar Volume: 196.664 cm3
Surface Tension: 49.417 dyne/cm
Density: 1.196 g/cm3
Flash Point: 184.809 °C
Enthalpy of Vaporization: 66.488 kJ/mol
Boiling Point: 381.969 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Product Categories of (S)-1-CBZ-3-(hydroxymethyl)pyrrolidine (CAS NO.124391-76-0): pharmacetical
SMILES: O=C(OCc1ccccc1)N2C[C@@H](CO)CC2
InChI: InChI=1/C13H17NO3/c15-9-12-6-7-14(8-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2/t12-/m0/s1
InChIKey: ZRMWRJLLAVAFQP-LBPRGKRZBH
Std. InChI: InChI=1S/C13H17NO3/c15-9-12-6-7-14(8-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2/t12-/m0/s1
Std. InChIKey: ZRMWRJLLAVAFQP-LBPRGKRZSA-N