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1-Pyrrolidinecarboxylicacid, 3-hydroxy-, 9H-fluoren-9-ylmethyl ester, (3R)- (215178-39-5)

Identification
Name:1-Pyrrolidinecarboxylicacid, 3-hydroxy-, 9H-fluoren-9-ylmethyl ester, (3R)-
Synonyms:(R)-1-FMOC-3-hydroxypyrrolidine
CAS:215178-39-5
Molecular Formula: C19H19NO3
Molecular Weight: 309.36
InChI: InChI=1/C19H19NO3/c21-13-9-10-20(11-13)19(22)23-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,21H,9-12H2/t13-/m1/s1
Molecular Structure: (C19H19NO3) (R)-1-FMOC-3-hydroxypyrrolidine
Properties
Melting Point: 109-117 °C (dec.)
Density:1.295 g/cm3
Refractive index:1.643
Specification:

The (R)-1-FMOC-3-Pyrrolidinol, with CAS registry number 215178-39-5, belongs to the following product categorie: Pyrrole&Pyrrolidine&Pyrroline. It  has the systematic name of 9H-fluoren-9-ylmethyl (3R)-3-hydroxypyrrolidine-1-carboxylate. And the chemical formula of this chemical is C19H19NO3.

Physical properties about this chemical are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.01; (6)ACD/BCF (pH 7.4): 37.01; (7)ACD/KOC (pH 5.5): 461.59; (8)ACD/KOC (pH 7.4): 461.59; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 86.36 cm3; (15)Molar Volume: 238.7 cm3; (16)Polarizability: 34.23×10-24cm3; (17)Surface Tension: 58.4 dyne/cm; (18)Enthalpy of Vaporization: 80.43 kJ/mol; (19)Vapour Pressure: 1.17E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The (R)-1-FMOC-3-Pyrrolidinol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC3c1ccccc1c2ccccc23)N4CC[C@@H](O)C4
(2)InChI: InChI=1/C19H19NO3/c21-13-9-10-20(11-13)19(22)23-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,21H,9-12H2/t13-/m1/s1
(3)InChIKey: KPDNZJQVYQCDJW-CYBMUJFWBD
(4)Std. InChI: InChI=1S/C19H19NO3/c21-13-9-10-20(11-13)19(22)23-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,21H,9-12H2/t13-/m1/s1
(5)Std. InChIKey: KPDNZJQVYQCDJW-CYBMUJFWSA-N

Safety Data
Hazard Symbols Xi: Irritant
 

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