Boc-N-Methyl-L-isoleucine supplier

Name
Boc-N-Methyl-L-isoleucine
EINECS
CAS No. 52498-32-5
Article Data14
CAS DataBase
Density 1.053 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₃NO₄
Boiling Point 338.175 °C at 760 mmHg
Molecular Weight 245.319
Flash Point 158.323 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-tert-Butoxycarbonyl-N-methylisoleucine;tert-Butoxycarbonyl-N-methyl-L-isoleucine;
PSA 66.84000
LogP 2.35260

Boc-N-Methyl-L-isoleucine Specification

The L-Isoleucine,N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-, with the CAS registry number 52498-32-5, is also known as N-tert-Butyloxycarbonyl-N-methyl-L-isoleucine. It belongs to the product category of Amino Acid Derivatives. This chemical's molecular formula is C₁₂H₂₃NO₄ and molecular weight is 245.32. What's more, its systematic name is called L-isoleucine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-.

Physical properties about L-Isoleucine,N-[(1,1-dimethylethoxy)carbonyl]-N-methyl- are: (1) ACD/LogP: 3.00; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.07; (4) ACD/BCF (pH 5.5): 1.31; (5) ACD/BCF (pH 7.4): 1; (6) ACD/KOC (pH 5.5): 11.91; (7) ACD/KOC (pH 7.4): 1; (8) #H bond acceptors: 5; (9) #H bond donors: 1; (10) #Freely Rotating Bonds: 6; (11) Polar Surface Area: 66.84 Å²; (12) Index of Refraction: 1.466; (13) Molar Refractivity: 64.58 cm³; (14) Molar Volume: 232.7 cm³; (15) Surface Tension: 36.3 dyne/cm; (16) Density: 1.053 g/cm³; (17) Flash Point: 158.3 °C; (18) Enthalpy of Vaporization: 63.91 kJ/mol; (19) Boiling Point: 338.2 °C at 760 mmHg; (20) Vapour Pressure: 1.86E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCC(C)[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
(2) InChI: InChI=1/C12H23NO4/c1-7-8(2)9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t8?,9-/m0/s1
(3) InChIKey: HTBIAUMDQYXOFG-GKAPJAKFBB

Product Name

Boc-N-Methyl-L-isoleucine

Boc-N-Methyl-L-isoleucine Specification

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