2-amino-4-methylpentanoic acid

• ChemBase ID: 69987
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)(C(N)CC(C)C)O
• Canonical SMILES: NC(C(=O)O)CC(C)C
• InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
• InChIKey: ROHFNLRQFUQHCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-methylpentanoic acid
• IUPAC Traditional name: leucine
• Synonyms: DL-Leucine; (+/-)-2-Amino-4-methylpentanoic acid; H-DL-Leu-OH; DL-Leucine; DL-2-Amino-4-methylpentanoic acid; (±)-Amino-4-methylpentanoic acid; (±)-氨基-4-甲基戊酸; DL-亮氨酸

Database IDs

• CAS Number: 328-39-2
• EC Number: 206-328-2
• MDL Number: MFCD00063087
• Beilstein Number: 636005
• Merck Index: 145451
• PubChem SID: 24896484; 24874862; 162035712
• PubChem CID: 857

CALCULATED PROPERTIES

• Acid pKa: 2.787709
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.58655
• LogD (pH = 7.4): -1.5889318
• Log P: -1.5861572
• Molar Refractivity: 34.1709 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 293-269°C (subl.); 293-296 °C (subl.)(lit.); ca 294°C subl.
• Density: 1.293

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false; 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; ≥99%; ≥99% (TLC); ≥99.0% (NT); 95+%; 98%; 99%
• Grade: puriss.
• Ignition Residue: ≤0.05%
• Linear Formula: (CH3)2CHCH2CH(NH2)CO2H

DETAILS

MP Biomedicals - 02194693

Cell Culture Reagent
Crystalline
Purity: 99+%

Sigma Aldrich - L7875

包装
25, 50, 100 g in poly bottle