[(2S)-1,4-dimethoxy-1,4-dioxobutan-2-yl]azanium chloride
Basic information
- CAS
32213-95-9- Standard SMILES
COC(=O)C[C@H]([NH3+])C(=O)OC.[Cl-]- InChIKey
PNLXWGDXZOYUKB-WCCKRBBISA-N- Molecular formula
- C6H12ClNO4
- Average molar mass
- 197.62 g/mol
- Monoisotopic mass
- 197.0454856
Overview
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Names & identifiers
- Preferred name
- [(2S)-1,4-dimethoxy-1,4-dioxobutan-2-yl]azanium chloride
- IUPAC
- [(2S)-1,4-dimethoxy-1,4-dioxobutan-2-yl]azanium chloride
- English name
- Dimethyl L-aspartate hydrochloride
- Molecular formula
- C6H12ClNO4
- Molecular weight
- 197.62
Names & synonyms
Dimethyl L-Aspartate HClL-ASPARTIC ACID DIMETHYL ESTER HCLDimethyl LASP(OME)2.HCLH-Asp(OMe)-OMeH-ASP(OME)-OME HCLL-Asp(Ome)-Ome·HClH-L-ASP(ME)-OME HCLL-Aspartic acid diAsparagine Impurity 22
Database identifiers
- CAS
32213-95-9- PubChem CID
- 11206403
Properties
Computed structural properties
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 115 · 115-117 °C(lit.)
- alpha
- 15 · 15 º (c=1, MeOH)
- refractive index
- 12 ° · 12 ° (C=1.4, H2O)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Powder
- color
- White to Off-white
- Water Solubility
- Soluble in water (almost transparency) and methanol.
- Major Application
- peptide synthesis
- InChI
- InChI=1/C6H11NO4.ClH/c1-10-5(8)3-4(7)6(9)11-2;/h4H,3,7H2,1-2H3;1H/t4-;/s3
- InChIKey
- PNLXWGDXZOYUKB-WCCKRBBISA-N
- SMILES
- [C@@H](N)(C(=O)OC)CC(=O)OC.Cl |&1:0,r|
- CAS DataBase Reference
- 32213 · 32213-95-9(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29224999
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesDimethyl L-Aspartate Hydrochloride was used in the synthesis of enzyme and pH dual responsive L-amino acid based biodegradable polymer nanocarrier that can be used for multidrug delivery to cancer cells.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
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Compound notes
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