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| CAS No.: | 163439-82-5 |
|---|---|
| Name: | (3R,4R)-(-)-1-BENZYL-3,4-PYRROLIDINDIOL |
| Article Data: | 18 |
| Molecular Structure: | |
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|
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| Formula: | C11H15 N O2 |
| Molecular Weight: | 193.246 |
| Synonyms: | 3,4-Pyrrolidinediol,1-(phenylmethyl)-, (3R-trans)-;(-)-(3R,4R)-1-(Phenylmethyl)-3,4-pyrrolidinediol; (3R,4R)-1-Benzylpyrrolidine-3,4-diol |
| Density: | 1.27 g/cm3 |
| Melting Point: | 94-100 °C |
| Boiling Point: | 356.2 °C at 760 mmHg |
| Flash Point: | 195.1 °C |
| Appearance: | off-white to light brown powder |
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 |
| Safety: | S26-36 37 39 |
| PSA: | 43.70000 |
| LogP: | 0.16190 |
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Chemistry
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
Safety Profile
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
Specification
(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 .