Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Amino-N-Boc-L-alanine methyl ester |
EINECS | N/A |
CAS No. | 61040-20-8 | Density | 1.108 g/cm3 |
PSA | 90.65000 | LogP | 1.10260 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H18N2O4 | Boiling Point | 337.676 °C at 760 mmHg |
Molecular Weight | 218.253 | Flash Point | 158.021 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Amino-N-Boc-L-alanine methyl ester; |
Article Data | 21 |
The 3-Amino-N-Boc-L-alanine methyl ester with the cas number 61040-20-8 is also called L-Alanine,3-amino-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester. The systematic name is methyl 3-amino-N-(tert-butoxycarbonyl)-L-alaninate. Its molecular formula is C9H18N2O4. This chemical should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 90.65 Å2; (7)Index of Refraction: 1.464; (8)Molar Refractivity: 54.349 cm3; (9)Molar Volume: 196.979 cm3; (10)Polarizability: 21.546×10-24cm3; (11)Surface Tension: 38.027 dyne/cm; (12)Enthalpy of Vaporization: 58.095 kJ/mol; (13)Vapour Pressure: 0 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)CN
(2)InChI: InChI=1/C9H18N2O4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-/m0/s1
(3)InChIKey: HNGRJOCEIWGCTB-LURJTMIEBM