(3R)-(+)-1-BENZYL-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE

The Carbamic acid,N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester with the CAS number 131878-23-4 is also called Carbamic acid, [1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester,(R)-. The systematic name is tert-butyl [(3R)-1-benzylpyrrolidin-3-yl]carbamate. Its molecular formula is C₁₆H₂₄N₂O₂. This chemical belongs to the following product categories: (1)3-Aminopyrrolidines; (2)Chiral 3-Aminopyrrolidines.

The properties of the Carbamic acid,N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 44; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 41.57 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 80.389 cm³; (15)Molar Volume: 253.739 cm³; (16)Polarizability: 31.869×10^-24cm³; (17)Surface Tension: 42.839 dyne/cm; (18)Enthalpy of Vaporization: 63.391 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H]2CCN(Cc1ccccc1)C2
(2)InChI: InChI=1/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m1/s1
(3)InChIKey: PHOIDJGLYWEUEK-CQSZACIVBD