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CAS No.: | 33099-08-0 |
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Name: | N-Cbz-N-methyl-L-leucine |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C15H21NO4 |
Molecular Weight: | 279.336 |
Synonyms: | Leucine,N-carboxy-N-methyl-, N-benzyl ester, L- (8CI);N-(Benzyloxycarbonyl)-N-methyl-L-leucine; |
Density: | 1.145 g/cm3 |
Melting Point: | 74-75 °C |
Boiling Point: | 419.449 °C at 760 mmHg |
Flash Point: | 207.475 °C |
PSA: | 66.84000 |
LogP: | 2.75430 |
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The L-Leucine,N-methyl-N-[(phenylmethoxy)carbonyl]-, with the CAS registry number 33099-08-0, is also known as N-Cbz-N-methyl-L-leucine. It belongs to the product category of Amino Acid Derivatives. This chemical's molecular formula is C15H21NO4 and molecular weight is 279.33. What's more, its systematic name is called N-[(Benzyloxy)carbonyl]-N-methyl-L-leucine.
Physical properties about L-Leucine,N-methyl-N-[(phenylmethoxy)carbonyl]- are: (1) ACD/LogP: 3.61; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.65; (4) ACD/LogD (pH 7.4): 0.11; (5) ACD/BCF (pH 5.5): 3.57; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 23.92; (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: 1.528; (14) Molar Refractivity: 75.21 cm3; (15) Molar Volume: 243.9 cm3; (16) Surface Tension: 44.3 dyne/cm; (17) Density: 1.145 g/cm3; (18) Flash Point: 207.5 °C; (19) Enthalpy of Vaporization: 70.97 kJ/mol; (20) Boiling Point: 419.4 °C at 760 mmHg; (21) Vapour Pressure: 8.72E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N(C(=O)OCc1ccccc1)C)CC(C)C
(2) InChI: InChI=1/C15H21NO4/c1-11(2)9-13(14(17)18)16(3)15(19)20-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,17,18)/t13-/m0/s1
(3) InChIKey: TVXSGOBGRXNJLM-ZDUSSCGKBP