Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Boc-N-Methyl-L-isoleucine |
EINECS | N/A |
CAS No. | 52498-32-5 | Density | 1.053 g/cm3 |
PSA | 66.84000 | LogP | 2.35260 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H23NO4 | Boiling Point | 338.175 °C at 760 mmHg |
Molecular Weight | 245.319 | Flash Point | 158.323 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-tert-Butoxycarbonyl-N-methylisoleucine;tert-Butoxycarbonyl-N-methyl-L-isoleucine; |
Article Data | 14 |
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