CAS No.114676-93-6,(2R,4R)-N-Boc-4-hydroxy-2-methylpyrrolidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	114676-93-6
Name:	(2R,4R)-N-Boc-4-hydroxy-2-methylpyrrolidine
Article Data:	2

Formula:	C₁₀H₁₉NO₃
Molecular Weight:	201.266
Synonyms:	1-Pyrrolidinecarboxylicacid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2R-trans)-;(2R,4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-2-methylpyrrolidine;
Density:	1.094 g/cm³
Boiling Point:	282.5 °C at 760 mmHg
Flash Point:	124.7 °C
PSA:	49.77000
LogP:	1.31450

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Specification

The CAS register number of (2R,4R)-N-Boc-4-hydroxy-2-methylpyrrolidine is 114676-93-6. It also can be called as 1-Pyrrolidinecarboxylicacid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2R-trans)- and the systematic name about this chemical is 1-pyrrolidinecarboxylic acid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2R,4R)-. The molecular formula about this chemical is C₁₀H₁₉NO₃and the molecular weight is 201.26.

Physical properties about (2R,4R)-N-Boc-4-hydroxy-2-methylpyrrolidine are: (1)ACD/LogP: 0.42; (2)ACD/LogD (pH 5.5): 0.42; (3)ACD/LogD (pH 7.4): 0.42; (4)ACD/BCF (pH 5.5): 1.22; (5)ACD/BCF (pH 7.4): 1.22; (6)ACD/KOC (pH 5.5): 40.11; (7)ACD/KOC (pH 7.4): 40.11; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 49.77Å²; (12)Index of Refraction: 1.489; (13)Molar Refractivity: 53.12 cm³; (14)Molar Volume: 183.9 cm³; (15)Polarizability: 21.06x10^-24cm³; (16)Surface Tension: 39.8 dyne/cm; (17)Enthalpy of Vaporization: 60.51 kJ/mol; (18)Boiling Point: 282.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000392 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)O
(2)InChI: InChI=1/C10H19NO3/c1-7-5-8(12)6-11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m1/s1
(3)InChIKey: BXZADLGAYWRZCR-HTQZYQBOBK
(4)Std. InChI: InChI=1S/C10H19NO3/c1-7-5-8(12)6-11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m1/s1
(5)Std. InChIKey: BXZADLGAYWRZCR-HTQZYQBOSA-N