Molecular Structure of (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidinediol (CAS No.163439-82-5):

Molecular Formula: C₁₁H₁₅NO₂ 
Molecular Weight: 193.2423
CAS No: 163439-82-5
IUPAC Name: (3R,4R)-1-Benzylpyrrolidin-1-ium-3,4-diol 
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 21.7 Å²
Index of Refraction: 1.633
Molar Refractivity: 54.36 cm³
Molar Volume: 152 cm³
Surface Tension: 64.3 dyne/cm
Density: 1.27 g/cm³
Flash Point: 195.1 °C
Enthalpy of Vaporization: 63.47 kJ/mol
Boiling Point: 356.2 °C at 760 mmHg
Vapour Pressure: 1.08E-05 mmHg at 25°C
InChI: InChI=1/C₁₁H₁₅NO₂/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m1/s1
InChIKey: QJRIUWQPJVPYSO-GHMZBOCLBU
Std. InChI: InChI=1S/C₁₁H₁₅NO₂/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m1/s1
Std. InChIKey: QJRIUWQPJVPYSO-GHMZBOCLSA-N
Product Categories: Pyrrole Pyrrolidine Pyrroline;Chiral Building Blocks;Heterocyclic Building Blocks;Pyrrolidines

Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
F: 10-34

  (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidinediol (CAS No.163439-82-5), its synonyms are (3R,4R)-1-Benzylpyrrolidine-3,4-diol ; 3,4-Pyrrolidinediol, 1-(phenylmethyl)-, (3R,4R)- ; (3R,4R)-(−)-1-Benzyl-3,4-pyrrolidinediol ; (3R,4R)-1-Benzyl-pyrrolidine-3,4-diol .