(2S)-2-amino-4-methylpentan-1-ol

• ChemBase ID: 70005
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C([C@@H](N)CC(C)C)O
• Canonical SMILES: OC[C@H](CC(C)C)N
• InChI: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-4-methylpentan-1-ol
• IUPAC Traditional name: (2S)-2-amino-4-methylpentan-1-ol
• Synonyms: (S)-2-Amino-4-methylpentanol; H-Leu-ol; L-Leucinol; 2-Amino-4-methyl-1-pentanol; L-LEUCINOL; (S)-2-Amino-4-methyl-1-pentanol; L-Leucinol; (S)-(+)-Leucinol; (S)-(+)-Leucinol; L-亮氨醇; (S)-2-氨基-4-甲基-1-戊醇; 2-氨基-4-甲基-1-戊醇; L-亮氨醇; (S)-(+)-亮氨醇

Database IDs

• CAS Number: 7533-40-6
• EC Number: 231-400-5
• MDL Number: MFCD00063676
• Beilstein Number: 1719240
• PubChem SID: 24851088; 24882183; 162035730
• PubChem CID: 111307

CALCULATED PROPERTIES

• Acid pKa: 15.12735
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6564274
• LogD (pH = 7.4): -1.9765102
• Log P: 0.3551243
• Molar Refractivity: 34.3035 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 198-200 °C/768 mmHg(lit.); 198-200°C; 208-210 °C(lit.)
• Flash Point: 195.8 °F; 90°C(194°F); 91 °C
• Density: 0.907 g/mL at 20 °C(lit.); 0.917; 0.917 g/mL at 25 °C(lit.); 0.92 g/ml
• Refractive Index: 1.4510; n20/D 1.450; n20/D 1.4511(lit.)
• Optical Rotation: [α]20/D +1.1±0.1°, neat; [α]20/D +4°, c = 9 in ethanol; +1.1 (neat)

Safety Information

• Storage Condition: Room Temperature (15-30°C), Store Under Nitrogen
• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H227; H315-H319-H335
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (sum of enantiomers, GC); 95+%; 96%; 97%; 98%
• Grade: purum
• Optical Purity: ee: 99% (GLC); enantiomeric ratio: ≥99:1 (HPLC)
• Linear Formula: (CH3)2CHCH2CH(NH2)CH2OH
• Empirical Formula (Hill Notation): C6H15NO

DETAILS

MP Biomedicals - 02151546

Purity: 98%
1 ml = approx. 0.92 gm
Reversible inhibitor of protein synthesis.

Sigma Aldrich - 184047

Packaging
1, 5, 25 g in glass bottle
Application
Starting material for the synthesis of aminopeptidase N1 and phospholipase A22 inhibitors.

Sigma Aldrich - 61920

Other Notes
Reversible inhibitor of protein synthesis1