(2S)-2-amino-3-carbamoylpropanoic acid hydrate

• ChemBase ID: 71242
• Molecular Formular: C4H10N2O4
• Molecular Mass: 150.1332
• Monoisotopic Mass: 150.06405681
• SMILES: OC(=O)[C@H](CC(=O)N)N.O
• Canonical SMILES: NC(=O)C[C@@H](C(=O)O)N.O
• InChI: InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1
• InChIKey: RBMGJIZCEWRQES-DKWTVANSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-3-carbamoylpropanoic acid hydrate
• IUPAC Traditional name: L-asparagine hydrate
• Synonyms: L-Asparagine monohydrate; (S)-2,4-Diamino-4-oxobutanoic acid hydrate; (S)-(+)-2-Aminosuccinamic acid; (S)-2-Aminosuccinic acid 4-amide; L-Aspartic acid 4-amide; Agedoite; Asparamide; L-Asparagine monohydrate; L-2-Aminosuccinamic acid monohydrate; H-Asn-OH.H2O; L-(+)-Asparagine monohydrate; (S)-(+)-2-氨基琥珀酰胺酸; (S)-2-氨基琥珀酸-4-酰胺; L-天冬氨酸-4-酰胺; L-天冬酰胺 一水合物; L-(+)-天冬酰胺酸,一水合物

Database IDs

• CAS Number: 5794-13-8
• EC Number: 200-735-9
• MDL Number: MFCD00151038
• Beilstein Number: 5767869; 1723527
• Merck Index: 14837
• PubChem SID: 24847037; 24891338; 24891175; 24847036; 24890843; 162036832
• PubChem CID: 170358

CALCULATED PROPERTIES

• Acid pKa: 1.9985391
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.2879124
• LogD (pH = 7.4): -4.3236184
• Log P: -4.287831
• Molar Refractivity: 28.3549 cm^3
• Polarizability: 11.510928 Å^3
• Polar Surface Area: 106.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1 M HCl: soluble0.5 M at 20 °C, clear, colorless; H2O: soluble20 mg/mL
• Apperance: powder
• Melting Point: 233-235 °C(lit.); 233-235°C; ca 245°C dec.
• Density: 1.543; 1.600
• Optical Rotation: [α]20/D +22°, c = 1 in 0.1 M HCl; [α]20/D +31±1°, c = 5% in 5 M HCl; +31 (c=5 in 5N HCl)
• Absorption Wavelength: λ: 260 nm Amax: 0.15; λ: 280 nm Amax: 0.10

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 1
• TSCA Listed: true; 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; ≥98.0%; ≥99% (TLC); ≥99.0% (NT); ≥99.5% (NT); 95+%; 98%; 98+%; 99%
• Suitability: suitable for cell culture
• Ignition Residue: ≤0.05% (as SO4)
• Impurities: ≤0.1% foreign amino acids; ≤0.3% foreign amino acids; endotoxin, tested; insoluble matter, passes filter test
• Cation Traces: Al: ≤10 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Biological Source: from non-animal source
• λ: 0.5 M in 1 M HCl
• Product Line: BioReagent; BioUltra
• Linear Formula: NH2COCH2CH(NH2)COOH · H2O

DETAILS

MP Biomedicals - 02194631

Cell Culture Reagent
Monohydrate
Crystalline
Purity: 99+%

MP Biomedicals - 02100795

Monohydrate
Crystalline
Purity: 99+%

Sigma Aldrich - A8381

Packaging
1 kg in poly bottle
100 g in poly bottle
Biochem/physiol Actions
L-Asparagine, a proteinogenic amino acid, is used in biomanufacturing cell culture systems for the production of therapeutic recombinant proteins and monoclonal antibodies and in cell culture based research.

Sigma Aldrich - A7094

Biochem/physiol Actions
L-Asparagine, a proteinogenic amino acid, from non-animal source is used in biomanufacturing cell culture systems for the production of therapeutic recombinant proteins and monoclonal antibodies.

REFERENCES

• Starting material for synthesis of ? -amino acids: Arch. Pharm., 324, 551 (1991)