Boc-N-methyl-L-leucine supplier

Name
Boc-N-methyl-L-leucine
EINECS
CAS No. 53363-89-6
Article Data25
CAS DataBase
Density 1.053 g/cm³
Solubility
Melting Point 55-60 °C
Formula C₁₂H₂₃NO₄
Boiling Point 338.2 °C at 760 mmHg
Molecular Weight 245.319
Flash Point 158.3 °C
Transport Information
Appearance White powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms BOC-N-methylleucine;N-tert-Butoxycarbonyl-N-methyl-L-leucine;N-tert-Butoxycarbonyl-N-methylleucine;NSC 334323;Boc-N-Me-Leu-OH;
PSA 66.84000
LogP 2.35260

Boc-N-methyl-L-leucine Specification

The Boc-N-methyl-L-leucine, with CAS registry number 53363-89-6, belongs to the following product categories: (1)Amino Acid Derivatives; (2)N-Methyl Amino Acids. It has the systematic name of N-(tert-butoxycarbonyl)-N-methyl-L-leucine. And this chemical should be stored at the room temperature.

Physical properties of Boc-N-methyl-L-leucine: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): -0.5; (5)ACD/BCF (pH 5.5): 1.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.54; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 64.58 cm³; (15)Molar Volume: 232.7 cm³; (16)Polarizability: 25.6×10^-24cm³; (17)Surface Tension: 36.3 dyne/cm; (18)Enthalpy of Vaporization: 63.91 kJ/mol; (19)Vapour Pressure: 1.86E-05 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)CC(C)C
(2)InChI: InChI=1/C12H23NO4/c1-8(2)7-9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t9-/m0/s1
(3)InChIKey: YXJFAOXATCRIKU-VIFPVBQEBD
(4)Std. InChI: InChI=1S/C12H23NO4/c1-8(2)7-9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t9-/m0/s1
(5)Std. InChIKey: YXJFAOXATCRIKU-VIFPVBQESA-N

Product Name

Boc-N-methyl-L-leucine

Boc-N-methyl-L-leucine Specification

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