(2S)-2-aminopentanedioic acid hydrochloride

• ChemBase ID: 102467
• Molecular Formular: C5H10ClNO4
• Molecular Mass: 183.5902
• Monoisotopic Mass: 183.02983549
• SMILES: Cl.N[C@@H](CCC(=O)O)C(=O)O
• Canonical SMILES: OC(=O)CC[C@@H](C(=O)O)N.Cl
• InChI: InChI=1S/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1
• InChIKey: RPAJSBKBKSSMLJ-DFWYDOINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-aminopentanedioic acid hydrochloride
• IUPAC Traditional name: L-glutamic acid hydrochloride
• Synonyms: Acidulin; Hypochylin; Glutamidin; Acidogen; L-2-Aminopentanedioic acid hydrochloride; Glu; E; (S)-2-Aminoglutaric acid; L-GLUTAMIC ACID HYDROCHLORIDE; (S)-2-Aminopentanedioic acid ammonium salt; Glu HCl; L-Glutamic acid hydrochloride; (S)-2-Aminopentanedioic acid hydrochloride; L-2-Aminoglutaric acid hydrochloride; H-Glu-OH.HCl; (S)-2-氨基戊二酸 铵盐; L-谷氨酸 盐酸盐; L-谷氨酸盐酸盐

Database IDs

• CAS Number: 138-15-8
• EC Number: 205-315-9
• MDL Number: MFCD00012619
• Beilstein Number: 3565569
• Merck Index: 144469
• PubChem SID: 24277982; 24872992; 24872994; 162090246
• PubChem CID: 2723891

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 1.8777773
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -4.4458017
• LogD (pH = 7.4): -6.180975
• Log P: -3.241447
• Molar Refractivity: 31.2877 cm^3
• Polarizability: 12.69048 Å^3
• Polar Surface Area: 100.62 Å^2

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M at 20 °C, clear, colorless
• Melting Point: ~213 °C (dec.); 203°C dec.; 214°C (Decomposes)
• Density: 1.525
• Optical Rotation: [α]20/D +23.5±0.5°, c = 6% in H2O; +23 (c=6 in water)
• Absorption Wavelength: λ: 260 nm Amax: 0.09; λ: 280 nm Amax: 0.06
• pH: 0-2.0 (25 °C, 1 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41; 41
• Safety Statements: 26-37/39; 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H318-H315-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... GRIK1(2897), GRIK2(2898), GRIK3(2899), GRIK4(2900), GRIK5(2901)

Product Information

• Purity: ≥99% (TLC); ≥99.0% (AT); ≥99.5% (AT); 98%; 99%
• Ignition Residue: ≤0.05%; ≤0.05% (as SO4)
• Impurities: ≤0.5% foreign amino acids; insoluble matter, passes filter test
• Cation Traces: Al: ≤5 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; NH4+: ≤100 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤0.05% loss on drying, 20 °C (HV)
• λ: 1 M in H2O
• Product Line: BioUltra
• Empirical Formula (Hill Notation): C5H9NO4 · HCl

DETAILS

MP Biomedicals - 02101799

Hydrochloride
Purity: 99%
Crystalline

Sigma Aldrich - G2128

Biochem/physiol Actions
Agonist at kainate, NMDA, and quisqualate receptors; an excitatory amino acid neurotransmitter.

Sigma Aldrich - 49570

Biochem/physiol Actions
Agonist at kainate, NMDA, and quisqualate receptors; an excitatory amino acid neurotransmitter.

Sigma Aldrich - 49569

Biochem/physiol Actions
Agonist at kainate, NMDA, and quisqualate receptors; an excitatory amino acid neurotransmitter.