Glycine, N,N-dimethyl-, methyl ester

HCID 81569CAS 7148-06-3

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Grundinformationen

Standard-SMILES: COC(=O)CN(C)C
InChIKey: LRZFEBJUJIQVDQ-UHFFFAOYSA-N
Summenformel: C5H11NO2
Durchschnittliche Molmasse: 117,15 g/mol
Monoisotopische Masse: 117,07897859

Namen und Bezeichner

Bevorzugter Name: Glycine, N,N-dimethyl-, methyl ester
IUPAC: methyl 2-(dimethylamino)acetate
Englischer Name: N,N-DIMETHYLGLYCINE METHYL ESTER
Summenformel: C5H11NO2
Molmasse: 117.15

Namen und Synonyme

N,N-Dimethylglycine methyl ester7148-06-3Glycine, N,N-dimethyl-, methyl esterMethyl (dimethylamino)acetateBRN 1744788DTXSID60221693NSC 296513-04-00-01125 (Beilstein Handbook Reference)RefChem:663699DTXCID90144184Glycine, N,Ndimethyl, methyl ester678-389-7

Weitere Namen anzeigen

(CH3)2NCH2COOCH3methyl(dimethylamino)acetatemethyl N,N-dimethyl glycinaten,n-dimethyl-glycinmethylesterN,N-Dimethylglycine Methyl Ester >

methyl 2-(dimethylamino)acetateMFCD00059303Methyl (dimethylamino) acetateN,N-Dimethyl-glycine methyl esterNSC-29651methyl n,n-dimethylglycinatemethyl dimethylglycinatedimethylglycine methyl ester

Datenbank-Bezeichner

CAS: 7148-06-3
PubChem CID: 81569
DTXSID: DTXSID60221693
UNII: GDE26H4628
EC Number: 678-389-7
Nikkaji: J127.903C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 80

Experimentelle und physikochemische Eigenschaften

Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]

Kovats Retention Index809；810

Physikochemische Eigenschaften

Siedepunkt: 134 · 134-135°C
Dichte: 0 · 0,95 g/cm3
Brechungsindex: 1.412 · 1.4120
Flammpunkt: 38 °C · 38°C
storage temp.: Refrigerator
pka: 7.22 · 7.22±0.28(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: Soluble in water.
BRN: 1744788 · 1744788
LogP: 0.16 · 0.160 (est)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazards SummaryIntravenous LD50 (mouse) >50 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Sicherheitsdaten

ridadr: 3272
hs_code: 2922.49.8000
RTECS-Nr.: MC0011000
risk_code: 10-36/37/38
safety_code: 26-36
hazard_class: 3
packing_group: III

Chemie und Industrie

Anwendungen

VerwendenN,N-Dimethylglycine methyl ester is used as a biochemical for proteomics research. It is also used as chemical and pharmaceutical intermediate.