Netica Solution

The complete data for Isoleucine

General information

Chemical formula: C6H13NO2 
Molar mass: 131.18 g·mol-1
Systematic name:
(2S,3S)-2-amino-3-methylpentanoic acid
Abbreviations: I, Ile
Synonyms:
{2/α}-amino-{3/β}-methylvaleric acid
3-methyl-{/erythro-}norvaline
Amino-sec-butyl-acetic acid
Amino(1-methylpropyl)-acetic acid
Database data
SMILES: CC
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h8H
 ATC: N/A
 CAS: 73-32-5
 DrugBank: N/A
 EINECS: 200-798-2
 PubChem: 6306
Physical properties
Structure
Crystal data
Spectral data
UV-Vis
IR
NMR
MS
Phase behavior
Solid properties
Tm: 284 °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: 6.02
pKa: 2.26; 9.60
Tautomers: ?
Hydrogen bond: donor – 2 [...]