(+-)-Aspartic Acid
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Basic information
- CAS
1783-96-6- Standard SMILES
NC(CC(=O)O)C(=O)O- InChIKey
CKLJMWTZIZZHCS-UHFFFAOYSA-N- Molecular formula
- C4H7NO4
- Average molar mass
- 133.1 g/mol
- Monoisotopic mass
- 133.0375077
Overview
Aspartic acid is an alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. It has a role as a fundamental metabolite. It is a polar amino acid, an alpha-amino acid and a C4-dicarboxylic acid. It contains a carboxymethyl group. It is a conjugate acid of an aspartate and an aspartate(1-).
Names & identifiers
- Preferred name
- (+-)-Aspartic Acid
- IUPAC
- 2-aminobutanedioic acid
- English name
- D-Aspartic acid
- Molecular formula
- C4H7NO4
- Molecular weight
- 133.1
Names & synonyms
(+-)-Aspartic acidRefChem:905505DL-ASPARTIC ACID617-45-82-aminobutanedioic acidDL-Aminosuccinic acidDL-Asparagic acidAspartic acid, DL-DL-Asp-OHAcid D,L-aspartH-DL-Asp-OH(+/-)-2-Aminosuccinic acid
Show more names
D-ASPD-(-)-ASPARTIC ACIDH-D-ASP-OH(R)-2-AMINOSUCCINIC ACIDAspartic acid D-formd-asparticH-D-AspD-Asp-OHNSC 97922xuyicaoyou
(+/-)-Aspartic AcidDL-ASPARTIC ACID (3-13C)L-ASPARTIC-4-13C ACIDD-Asparagic acid28XF4669EPNSC620336NSC-141379Butanedioic acid, (S)-
Database identifiers
- CAS
1783-96-6、56-84-8、617-45-8- PubChem CID
- 424
- DTXSID
DTXSID30859003- ChEBI
CHEBI:22660- UNII
- 28XF4669EP
Properties
Computed structural propertiesFilling in
- XLogP
- -2.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- alpha
- -25.8 · -25.8 º (c=5, 5N HCl)
- Boiling point
- 245.59 °C · 245.59°C (rough estimate)
- Density
- 1.66 · 1.66
- refractive index
- -25 ° · -25 ° (C=8, 50% HCl)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Aqueous Acid (Sparingly)
- pka
- 1 · pK1: 1.89(0);pK2: 3.65;pK3: 9.60 (25°C)
- form
- Crystalline Powder
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 97.9% (138 of 141) of all reports.
Not Classified
Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: DL-Aspartic acid
Status: Active Update: 24-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5880
Other Safety InformationIMAP assessments - DL-Aspartic acid: Environment tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Aspartic acid.
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- rtecs
- CI9097500
- hs_code
- 29224995
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
UsesD-Aspartic acid modulates melatonin synthesis in the pineal gland.
UsesA non-essential amino acid found in food sources and dietary supplements. D-Aspartic acid's conjugate base D-aspartate has potential use as a a therapeutic agent in the treatment of schizophrenia-related symptoms.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: The D-enantiomer of aspartic acid.
Related reactions
31 records
Compound notes
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