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(3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine

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Name

(3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine

EINECS N/A
CAS No. 131878-23-4 Density 1.089 g/cm3
PSA 41.57000 LogP 3.11440
Solubility N/A Melting Point 77-81 °C(lit.)
Formula C16H24N2O2 Boiling Point 385.142 °C at 760 mmHg
Molecular Weight 276.379 Flash Point 186.727 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 131878-23-4 ((3R)-(+)-1-BENZYL-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE) Hazard Symbols IrritantXi
Synonyms

Carbamicacid, [(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI);Carbamic acid, [1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester,(R)-;

Article Data 6

(3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine Specification

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

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