CAS No.117903-25-0,BOC-MENLE-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	117903-25-0
Name:	BOC-MENLE-OH
Article Data:	2

Formula:	C₁₂H₂₃NO₄
Molecular Weight:	245.32
Synonyms:	N-tert-Butoxycarbonyl-N-methyl-L-norleucine;Boc-Menle-Oh;
Density:	1.055 g/cm³
Boiling Point:	343.6 °C at 760 mmHg
Flash Point:	161.6 °C
PSA:	66.84000
LogP:	2.49670

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Specification

The L-Norleucine,N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-, with the CAS registry number 117903-25-0, is also known as Boc-Menle-Oh. It belongs to the product categories of Amino Acid Derivatives; N-Methyl Amino Acids. This chemical's molecular formula is C₁₂H₂₃NO₄ and molecular weight is 245.32. What's more, its systematic name is N-(tert-butoxycarbonyl)-N-methyl-L-norleucine. It should be stored at 0-5 °C.

Physical properties of L-Norleucine,N-[(1,1-dimethylethoxy)carbonyl]-N-methyl- are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): -0.31; (5)ACD/BCF (pH 5.5): 1.73; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.39; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 64.62 cm³; (15)Molar Volume: 232.4 cm³; (16)Polarizability: 25.62×10^-24 cm³; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.055 g/cm³; (19)Flash Point: 161.6 °C; (20)Enthalpy of Vaporization: 64.56 kJ/mol; (21)Boiling Point: 343.6 °C at 760 mmHg; (22)Vapour Pressure: 1.25×10^-5 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N(C)[C@H](C(=O)O)CCCC
(2)InChI: InChI=1/C₁₂H₂₃NO₄/c1-6-7-8-9(10(14)15)13(5)11(16)17-12(2,3)4/h9H,6-8H2,1-5H3,(H,14,15)/t9-/m0/s1
(3)InChIKey: HYGQYTQHPSQSFF-VIFPVBQEBT