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61040-20-8

Basic Information
CAS No.: 61040-20-8
Name: 3-Amino-N-Boc-L-alanine methyl ester
Article Data: 21
Molecular Structure:
Molecular Structure of 61040-20-8 (3-Amino-N-Boc-L-alanine methyl ester)
Formula: C9H18N2O4
Molecular Weight: 218.253
Synonyms: 3-Amino-N-Boc-L-alanine methyl ester;
Density: 1.108 g/cm3
Boiling Point: 337.676 °C at 760 mmHg
Flash Point: 158.021 °C
PSA: 90.65000
LogP: 1.10260
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Specification

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