(1,3-Dimethoxy-1,3-dioxopropan-2-yl)azanium chloride
Basic information
- CAS
16115-80-3- Standard SMILES
COC(=O)C([NH3+])C(=O)OC.[Cl-]- InChIKey
QWNDKNJSEWOEDM-UHFFFAOYSA-N- Molecular formula
- C5H10ClNO4
- Average molar mass
- 183.59 g/mol
- Monoisotopic mass
- 183.0298355
Names & identifiers
- Preferred name
- (1,3-Dimethoxy-1,3-dioxopropan-2-yl)azanium chloride
- IUPAC
- (1,3-dimethoxy-1,3-dioxopropan-2-yl)azanium chloride
- English name
- Dimethyl aminomalonate hydrochloride
- Molecular formula
- C5H10ClNO4
- Molecular weight
- 183.59
Names & synonyms
Dimethyl aminomalonate HCl2-AminomalonicaciddimethylesterHClDimethyl aminomalonate hydrochlorideDiMethyl 2-aMinoMalonate hydrochlorideDiMethyl aMinoMalonate hydrochloride 97%DIMETHYL AMINOMALONATE HYDROCHLORIDE, 97 %aminomalonic acid dimethyl ester hydrochlorideDimethyl 2-aminopropane-1,3-dioate hydrochloride2-AMINOMALONIC ACID DIMETHYL ESTER HYDROCHLORIDEPropanedioic acid, 2-amino-, 1,3-dimethyl ester, hydrochloride (1:1)
Database identifiers
- CAS
16115-80-3- PubChem CID
- 10899321
Properties
Computed structural properties
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 160 °C · 160 °C (dec.)(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 25 mg/mL, · water: soluble25mg/mL, clear, colorless to faintly yellow
- form
- Crystals or Crystalline Powder
- color
- Light yellow
- Water Solubility
- 25 mg/mL, · water: soluble 25mg/mL, clear, colorless to faintly yellow
- BRN
- 3696467 · 3696467
- InChI
- 1S/C5H9NO4.ClH/c1-9-4(7)3(6)5(8)10-2;/h3H,6H2,1-2H3;1H
- InChIKey
- QWNDKNJSEWOEDM-UHFFFAOYSA-N
- SMILES
- Cl[H].COC(=O)C(N)C(=O)OC
- CAS DataBase Reference
- 16115 · 16115-80-3
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29224999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesDimethyl aminomalonate hydrochloride (aminomalonic acid dimethyl ester hydrochloride) may be used in synthesis of methyl 3-phenyl-5-hydantoincarboxylate and Boc-Leu-Ama(OMe)2(Boc= tert-butyloxycarbonyl, Leu= leucine, Ama= aminomalonic acid). It may be used as starting reagent in the synthesis of the following:(R,S)-2-phenethylcysteine hydrochloridedimethyl 2,2,2-polynitroalkylnitroaminonitromalonatespirotryprostatin B
General DescriptionDimethyl aminomalonate hydrochloride is a hydrochloride salt of a dialkyl aminomalonate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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