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124391-76-0

Basic Information
CAS No.: 124391-76-0
Name: (S)-1-CBZ-3-HYDROXYMETHYLPYRROLIDINE
Article Data: 2
Molecular Structure:
Molecular Structure of 124391-76-0 ((S)-1-CBZ-3-HYDROXYMETHYLPYRROLIDINE)
Formula: C13H17NO3
Molecular Weight: 235.283
Synonyms: 1-Pyrrolidinecarboxylicacid, 3-(hydroxymethyl)-, phenylmethyl ester, (S)-;
Density: 1.196 g/cm3
Boiling Point: 381.969 °C at 760 mmHg
Flash Point: 184.809 °C
PSA: 49.77000
LogP: 1.57530
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Chemistry

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: C13H17NO
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