L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester supplier

Name
BOC-LEU-OME
EINECS
CAS No. 63096-02-6
Article Data3
CAS DataBase
Density 1.008 g/cm³
Solubility
Melting Point 147-149℃
Formula C₁₂H₂₃NO₄
Boiling Point 322.5 °C at 760 mmHg
Molecular Weight 245.319
Flash Point 148.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(tert-Butyloxycarbonyl)leucinemethyl ester;N-tert-Butoxycarbonyl-L-leucine methyl ester;
PSA 64.63000
LogP 2.48970

L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester Specification

The L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, with the CAS registry number 63096-02-6, is also known as N-(tert-Butyloxycarbonyl)-L-leucine methyl ester. It belongs to the product categories of Amino Acid Derivatives; Leucine and Peptide Synthesis. This chemical's molecular formula is C₁₂H₂₃NO₄ and molecular weight is 245.32. What's more, its IUPAC name is Methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate and systematic name is called Methyl N-(tert-butoxycarbonyl)-L-leucinate.

Physical properties about L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester are: (1) ACD/LogP: 2.97; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.97; (4) ACD/LogD (pH 7.4): 2.97; (5) ACD/BCF (pH 5.5): 107.06; (6) ACD/BCF (pH 7.4): 107.05; (7) ACD/KOC (pH 5.5): 987.24; (8) ACD/KOC (pH 7.4): 987.09; (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: 1.444; (14) Molar Refractivity: 64.67 cm³; (15) Molar Volume: 243.1 cm³; (16) Surface Tension: 31.6 dyne/cm; (17) Density: 1.008 g/cm³; (18) Flash Point: 148.8 °C; (19) Enthalpy of Vaporization: 56.44 kJ/mol; (20) Boiling Point: 322.5 °C at 760 mmHg; (21) Vapour Pressure: 0.000278 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)OC)CC(C)C
(2) InChI: InChI=1/C12H23NO4/c1-8(2)7-9(10(14)16-6)13-11(15)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15)/t9-/m0/s1
(3) InChIKey: QSEVMIMUBKMNOU-VIFPVBQEBU

Product Name

BOC-LEU-OME

L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester Specification

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