beta-Alanine, N,N-dimethyl-, methyl ester
Grundinformationen
- CAS
3853-06-3- Standard-SMILES
COC(=O)CCN(C)C- InChIKey
VSFJOMFYABROHQ-UHFFFAOYSA-N- Summenformel
- C6H13NO2
- Durchschnittliche Molmasse
- 131,17 g/mol
- Monoisotopische Masse
- 131,09462866
Namen und Bezeichner
- Bevorzugter Name
- beta-Alanine, N,N-dimethyl-, methyl ester
- IUPAC
- methyl 3-(dimethylamino)propanoate
- Englischer Name
- Methyl 3-(dimethylamino)propionate
- Summenformel
- C6H13NO2
- Molmasse
- 131.17
Namen und Synonyme
Methyl 3-(dimethylamino)propanoate3853-06-3beta-Alanine, N,N-dimethyl-, methyl esterMethyl beta-(dimethylamino)propionateN,N-Dimethyl-beta-alanine methyl esterDTXSID90191855RefChem:567125DTXCID30114346Methyl 3-(dimethylamino)propionateMFCD00009643Methyl 3-dimethylaminopropionateSCHEMBL215293
Weitere Namen anzeigen
SKL486mildronate-005Methyl 3-(dimethylamino)methyl3-(dimethylamino)propanoateN,N-dimethyl-β-alaninemethylestern,n-dimethyl-beta-alaninmethylestern,n-dimethyl-beta-alaninemethylestermethylbeta-(dimethylamino)propionateMethyl 3-(diMethylaMino)propionate 99%
VSFJOMFYABROHQ-UHFFFAOYSA-Methyl 3-(dimethylamino)propionate, 99%.beta.-Alanine, N,N-dimethyl-, methyl esterMethyl 3-(diMildronate Impurity 7methyl 3-dimethylaminopropanoateMethyl-3-dimethylaminopropionateSCHEMBL10637069
Datenbank-Bezeichner
- CAS
3853-06-3- PubChem CID
- 199226
- DTXSID
DTXSID90191855- EC Number
- 628-916-1
- Nikkaji
- J236.657F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 91,1
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
Physikochemische Eigenschaften
- Schmelzpunkt
- 120.5 · 120.5-121.0 °C
- Siedepunkt
- 152 · 152-154 °C (lit.)
- Dichte
- 0.917 g/mL · 0.917 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.418(lit.)
- Flammpunkt
- 124 °F · 124 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- liquid
- pka
- 8.25 · 8.25±0.28(Predicted)
- Farbe
- colorless
- InChI
- 1S/C6H13NO2/c1-7(2)5-4-6(8)9-3/h4-5H2,1-3H3
- InChIKey
- VSFJOMFYABROHQ-UHFFFAOYSA-N
- SMILES
- COC(=O)CCN(C)C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
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 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 CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- RTECS-Nr.
- AY5992870
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenMethyl 3-(dimethylamino)propionate was used in the synthesis of lithium enolate via reaction with lithium diisopropylamide.
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