Dimethylaminomalonathydrochlorid

Dimethyl aminomalonate hydrochloride

HCID 437601CAS 16115-80-3

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Grundinformationen

Standard-SMILES: COC(=O)C(N)C(=O)OC
InChIKey: MHDFJESNGMDHQD-UHFFFAOYSA-N
Summenformel: C5H9NO4
Durchschnittliche Molmasse: 147,13 g/mol

Namen und Bezeichner

Bevorzugter Name: Dimethyl aminomalonate hydrochloride
IUPAC: dimethyl 2-aminopropanedioate
Lokaler Name: Dimethylaminomalonathydrochlorid
Englischer Name: Dimethyl aminomalonate hydrochloride
Summenformel: C5H10ClNO4
Molmasse: 183.59

Namen und Synonyme

Dimethyl aminomalonate HClEINECS 240-284-5NSC 522525RefChem:338663240-284-516115-80-3Dimethyl aminomalonate hydrochloridedimethyl 2-aminomalonate53704-09-9dimethyl 2-aminopropanedioateDimethyl AminomalonateMFCD00829425

Weitere Namen anzeigen

2-AminomalonicaciddimethylesterHClDiMethyl 2-aMinoMalonate hydrochlorideDiMethyl aMinoMalonate hydrochloride 97%DIMETHYL AMINOMALONATE HYDROCHLORIDE, 97 %aminomalonic acid dimethyl ester hydrochlorideDimethyl 2-aminopropane-1,3-dioate hydrochloridePropanedioic acid, 2-amino-, 1,3-dimethyl ester, hydrochloride (1:1)

DIMETHYL 2-AMINOMALONATE, TECHDimethyl 2-aminomalonate (H-DL-Gly(CO2Me)-OMe)2-Aminomalonic acid dimethyl ester hydrochlorideSCHEMBL279148SCHEMBL7325444MHDFJESNGMDHQD-UHFFFAOYSA-Ndimethyl 2-aminopropane-1,3-dioateSBB054110

Datenbank-Bezeichner

CAS: 16115-80-3
PubChem CID: 437601
EC Number: 240-284-5
Nikkaji: J281.607E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 78,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Schmelzpunkt: 160 °C · 160 °C (dec.)(lit.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 25 mg/mL, · water: soluble25mg/mL, clear, colorless to faintly yellow
Aggregatzustand: Crystals or Crystalline Powder
Farbe: Light yellow
Wasserlöslichkeit: 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 Datenbank: 16115 · 16115-80-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29224999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenDimethyl 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