Name: (R)-tert-butyl 2-(bromomethyl)pyrrolidine-1-carboxylate
SKU: 1039826-29-3

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Basic Information

Molecular Structure:
CAS No.:	1039826-29-3
Name:	(R)-tert-butyl 2-(bromomethyl)pyrrolidine-1-carboxylate
Article Data:	3

Formula:	C₁₀H₁₈BrNO₂
Molecular Weight:	264.162
Synonyms:	2-(Bromomethyl)pyrrolidine-1-carboxylic acid (R)-tert-butyl ester;tert-Butyl (2R)-2-(bromomethyl)pyrrolidine-1-carboxylate;
Density:	1.313 g/cm³
Boiling Point:	300.053 °C at 760 mmHg
Flash Point:	135.268 °C
PSA:	29.54000
LogP:	2.71870

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Specification

The 1-Pyrrolidinecarboxylicacid, 2-(bromomethyl)-, 1,1-dimethylethyl ester,(2R)-, with the CAS registry number 1039826-29-3, is also known as 2-(Bromomethyl)pyrrolidine-1-carboxylic acid (R)-tert-butyl ester. This chemical's molecular formula is C₁₀H₁₈BrNO₂ and molecular weight is 264.16. What's more, its systematic name is tert-Butyl (2R)-2-(bromomethyl)pyrrolidine-1-carboxylate.

Physical properties of 1-Pyrrolidinecarboxylicacid, 2-(bromomethyl)-, 1,1-dimethylethyl ester,(2R)- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.656; (4)ACD/LogD (pH 7.4): 2.656; (5)ACD/BCF (pH 5.5): 61.41; (6)ACD/BCF (pH 7.4): 61.41; (7)ACD/KOC (pH 5.5): 663.181; (8)ACD/KOC (pH 7.4): 663.181; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 59.254 cm³; (15)Molar Volume: 201.206 cm³; (16)Polarizability: 23.49×10^-24cm³; (17)Surface Tension: 38.104 dyne/cm; (18)Density: 1.313 g/cm³; (19)Flash Point: 135.268 °C; (20)Enthalpy of Vaporization: 54.009 kJ/mol; (21)Boiling Point: 300.053 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCCC1CBr
(2)InChI: InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7H2,1-3H3/t8-/m1/s1
(3)InChIKey: OSMADJAEHVCZKN-MRVPVSSYSA-N