HuagongsheHuagongshe Chemistry Print Report · For research reference only
L-Leucinol
L-LEUCINOL · (S)-2-amino-4-methylpentan-1-ol · (S)-LEUCINOL · 2-AMINO-4-METHYL-1-PENTANOL · (+)-L · Leu-ol · eucinoL · H-LEU-OL
Identifiers & Physical Properties
| CAS No. | 7533-40-6 |
|---|---|
| Molecular formula | C6H15NO |
| Average molar mass | 117.19 g/mol |
| Monoisotopic mass | 117.1153641 g/mol |
| SMILES | CC(C)C[C@H](N)CO |
| InChIKey | VPSSPAXIFBTOHY-LURJTMIESA-N |
| PubChem CID | 111307 |
| ChEMBL | CHEMBL1232141 |
| ChEBI | CHEBI:228882 |
| EC No. | 231-400-5 |
| DTXSID | DTXSID001032725 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 46.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 54 |
| Melting point | 56-58 °C |
| Boiling point | 208-210 °C(lit.) |
| alpha | 3 º (589nm, c=9, ethanol) |
| Density | 0.917 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.4511(lit.) |
| Flash point | 195 °F |
| Storage conditions | Keep in dark place,Inert atmosphere,2-8°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| pKa (acidity coefficient) | 12.88±0.10(Predicted) |
| Physical state | Liquid |
| Specific gravity | 0.917 |
| Color | Clear colorless to slightly yellow light |
| optical activity | [α]20/D +4°, c = 9 in ethanol |
| Sensitivity | Air Sensitive |
| BRN | 1719240 |
| Major applications | peptide synthesis |
| InChI | 1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1 |
| InChIKey | VPSSPAXIFBTOHY-LURJTMIESA-N |
| SMILES | CC(C)C[C@H](N)CO |
| CAS DataBase Reference | 7533-40-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Pentanol, 2-amino-4-methyl-, (S)-(7533-40-6) |
| UNSPSC Code | 12352200 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H227-H315-H319-H335 |
| GHS precautionary statements | P210e-P280a-P403+P235-P501a-P261-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36-36/37/39-27 |
| Water hazard class (WGK) | 3 |
| F | 2-10 |
| Customs code | 29221990 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| F | 2-10 |
|---|---|
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| Customs code | 29221990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36-36/37/39-27 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H227-H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P210e-P280a-P403+P235-P501a-P261-P305+P351+P338 |
Applications & Uses
Uses
Starting material for the synthesis of aminopeptidase N and phospholipase A2 inhibitors.