Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
L-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-, methyl ester |
EINECS | N/A |
CAS No. | 15136-29-5 | Density | 1.13 g/cm3 |
PSA | 93.73000 | LogP | 2.58190 |
Solubility | N/A | Melting Point |
103-104 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4)) |
Formula | C18H26N2O5 | Boiling Point | 526 °C at 760 mmHg |
Molecular Weight | 350.415 | Flash Point | 271.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Alanine,N-(N-carboxy-3-phenyl-L-alanyl)-, N-tert-butyl methyl ester, L- (8CI);L-Alanine,N-[N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl]-, methyl ester;Boc-phenylalanyl-alanine methyl ester;N-(tert-Butoxycarbonyl)phenylalanylalanine methyl ester;N-tert-Butoxycarbonyl-L-phenylalanyl-L-alanine methyl ester;Boc-Phe-Ala-OMe; |
Article Data | 46 |
The L-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-, methyl ester is an organic compound with the formula C18H26N2O5. The systematic name of this chemical is Methyl N-(tert-butoxycarbonyl)phenylalanylalaninate. With the CAS registry number 15136-29-5, it is also named as Alanine, N-[(1,1-dimethylethoxy)carbonyl]phenylalanyl-, methyl ester. Besides, it should be stored at 0°C.
Physical properties about L-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-, methyl ester are: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.83; (3)ACD/LogD (pH 7.4): 2.83; (4)ACD/BCF (pH 5.5): 82.9; (5)ACD/BCF (pH 7.4): 82.88; (6)ACD/KOC (pH 5.5): 822.08; (7)ACD/KOC (pH 7.4): 821.87; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 93.73 Å2; (12)Index of Refraction: 1.51; (13)Molar Refractivity: 92.78 cm3; (14)Molar Volume: 309.8 cm3; (15)Polarizability: 36.78×10-24 cm3; (16)Surface Tension: 40.5 dyne/cm; (17)Density: 1.13 g/cm3; (18)Flash Point: 271.9 °C; (19)Enthalpy of Vaporization: 80.03 kJ/mol; (20)Boiling Point: 526 °C at 760 mmHg; (21)Vapour Pressure: 3.72E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C18H26N2O5/c1-12(16(22)24-5)19-15(21)14(11-13-9-7-6-8-10-13)20-17(23)25-18(2,3)4/h6-10,12,14H,11H2,1-5H3,(H,19,21)(H,20,23)
(2)InChIKey: KQKWBQWQIAVCLZ-UHFFFAOYAP
(3)Std. InChI: InChI=1S/C18H26N2O5/c1-12(16(22)24-5)19-15(21)14(11-13-9-7-6-8-10-13)20-17(23)25-18(2,3)4/h6-10,12,14H,11H2,1-5H3,(H,19,21)(H,20,23)
(4)Std. InChIKey: KQKWBQWQIAVCLZ-UHFFFAOYSA-N