CAS No.142121-48-0,BOC-D-LEUCINOL 97 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	142121-48-0
Name:	BOC-D-LEUCINOL 97
Article Data:	4

Formula:	C₁₁H₂₃NO₃
Molecular Weight:	217.309
Synonyms:	Carbamic acid, [1-(hydroxymethyl)-3-methylbutyl]-,1,1-dimethylethyl ester (9CI);
Density:	0.984 g/cm³
Boiling Point:	319.3 °C at 760 mmHg
Flash Point:	146.9 °C
PSA:	58.56000
LogP:	2.30900

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Specification

The Carbamic acid, N-[1-(hydroxymethyl)-3-methylbutyl]-, 1, 1-dimethylethyl ester, with the CAS registry number 142121-48-0, is also known as Carbamic acid, [1-(hydroxymethyl)-3-methylbutyl]-, 1, 1-dimethylethyl ester (9CI). This chemical's molecular formula is C₁₁H₂₃NO₃ and molecular weight is 217.30522. What's more, its IUPAC name is tert-Butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate.

Physical properties about Carbamic acid, N-[1-(hydroxymethyl)-3-methylbutyl]-, 1, 1-dimethylethyl ester are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 29.97; (6)ACD/BCF (pH 7.4): 29.97; (7)ACD/KOC (pH 5.5): 396.89; (8)ACD/KOC (pH 7.4): 396.88; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 59.79 cm³; (15)Molar Volume: 220.7 cm³; (16)Polarizability: 23.7×10^-24 cm³; (17)Surface Tension: 33 dyne/cm; (18)Density: 0.984 g/cm³; (19)Flash Point: 146.9 °C; (20)Enthalpy of Vaporization: 65.02 kJ/mol; (21)Boiling Point: 319.3 °C at 760 mmHg; (22)Vapour Pressure: 2.8E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)NC(CC(C)C)CO
(2) InChI: InChI=1/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)
(3) InChIKey: LQTMEOSBXTVYRM-UHFFFAOYAY