2-aminobutanedioic acid

• ChemBase ID: 102243
• Molecular Formular: C4H7NO4
• Molecular Mass: 133.10268
• Monoisotopic Mass: 133.03750771
• SMILES: NC(CC(=O)O)C(=O)O
• Canonical SMILES: OC(=O)CC(C(=O)O)N
• InChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
• InChIKey: CKLJMWTZIZZHCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminobutanedioic acid
• IUPAC Traditional name: aspartic acid
• Synonyms: D-Aspartic acid; (±)-2-Aminosuccinic acid; DL-Aspartic acid; Aminosuccinic acid; asparagic acid; asparaginic acid; Aspartic acid; DL-Aminosuccinic Acid; DL-ASPARTIC ACID; H-DL-Asp-OH; (±)-2-氨基琥珀酸; DL-天冬氨酸

Database IDs

• CAS Number: 617-45-8; 1783-96-6
• EC Number: 200-291-6; 210-513-3
• MDL Number: MFCD00063081; MFCD00063083
• Beilstein Number: 774618
• PubChem SID: 162088641; 24891394; 24847066
• PubChem CID: 424
• CHEBI ID: 22660
• CHEMBL: 139661
• Chemspider ID: 411
• KEGG ID: C16433
• Unique Ingredient Identifier: 28XF4669EP
• Wikipedia Title: Aspartic_acid

CALCULATED PROPERTIES

• Acid pKa: 1.7025436
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -4.018386
• LogD (pH = 7.4): -5.749634
• Log P: -3.5037527
• Molar Refractivity: 26.5327 cm^3
• Polarizability: 10.896484 Å^3
• Polar Surface Area: 100.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 4.5 g/L in water
• Apperance: colourless crystals
• Melting Point: >300 °C(lit.); >300°C; >300°C dec.; 270°C; 270-280 °C (dec.)
• Boiling Point: 324°C (decomposes)
• Density: 1.7 g/cm^3

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: CI9097800
• German water hazard class: 3
• TSCA Listed: 是
• EU Index: not listed
• NFPA704:
  

  1

  1

  0
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; ≥99% (TLC); ≥99.0% (NT); 98%; 98+%
• Grade: puriss.
• Ignition Residue: ≤0.05%
• Linear Formula: HOOCCH2CH(NH2)COOH

DETAILS

MP Biomedicals - 02194632

Cell Culture Reagent
Crystalline
Purity: 99+%

MP Biomedicals - 02100803

Crystalline
Purity: 99+%

Sigma Aldrich - A9006

Packaging
1 kg in poly bottle
100, 500 g in poly bottle
Biochem/physiol Actions
DL-Aspartic acid (DL-Asp) is a racemic mixture of the proteinogenic amino acid L-aspartate and the non-proteinogenic amino acid D-aspartate. DL-Aspartic acid is used in studies on factors and conditions that enhance semen and sperm quality.