Netica Solution

The complete data for Leucine

General information

Chemical formula: C6H13NO2 
Molar mass: 131.18 g·mol-1
Systematic name:
(S)-2-amino-4-methyl-pentanoic acid
Abbreviations: L, Leu
Synonyms:
{(S)-/L-}2-amino-4-methylvaleric acid
4-methyl-norvaline
α-aminoisocaproic acid
Database data
SMILES: CC(C)C
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/f/h8H
 ATC: N/A
 CAS:
 DrugBank: N/A
 EINECS: 200-522-0
 PubChem: 6106
Physical properties
Structure
Crystal data
Spectral data
UV-Vis
IR
NMR
MS
Phase behavior
Solid properties
ρsolid: 1.165 g.cm-3
Tm: 293 °C
Liquid properties
Gas properties
Hazard properties
MSDS N/A
Main hazards:
- N/A
NFPA 704

Flash point
- N/A
R/S statement
R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: -1.743
pI: 5.98
pKa: 2.32; 9.58
Tautomers: ?
Hydrogen bond: donor – 2;   acceptor – [...]