(3S)-3-methylmorpholine

HCID 12012220

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Grundinformationen

CAS: 350595-57-2
Standard-SMILES: C[C@H]1COCCN1
InChIKey: SFWWGMKXCYLZEG-YFKPBYRVSA-N
Summenformel: C5H11NO
Durchschnittliche Molmasse: 101,15 g/mol
Monoisotopische Masse: 101,08406397

Namen und Bezeichner

Bevorzugter Name: (3S)-3-methylmorpholine
IUPAC: (3S)-3-methylmorpholine
Englischer Name: 3S-3-methylmorpholine
Summenformel: C5H11NO
Molmasse: 101.15

Namen und Synonyme

(3S)-3-MethylmorpholineRefChem:401410635-416-7(S)-3-Methylmorpholine350595-57-2(S)-3-Methyl-morpholine(S)-3-methyl morpholineMFCD03840369Morpholine, 3-methyl-, (3S)-SCHEMBL16926DTXSID00475799CS-M0392

Weitere Namen anzeigen

(S)-3-MethylMorpholine HCl3S-3-Methylmorpholine(WX604204)high quality 3S-3-METHYLMORPHOLINE

AKOS0062387893S-3-METHYLMORPHOLINE(S);-3-Methylmorpholine3-Methyl-morpholineAM8037553-(S)-methylmorpholineA6150SCHEMBL1609639

Datenbank-Bezeichner

CAS: 350595-57-2
PubChem CID: 12012220
DTXSID: DTXSID00475799
EC Number: 635-416-7
Nikkaji: J3.462.318J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 56

Physikochemische Eigenschaften

Siedepunkt: 137.1 · 137.1±15.0 °C(Predicted)
Dichte: 0.891 · 0.891±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.03 · 9.03±0.40(Predicted)
Aggregatzustand: liquid
Farbe: colourless
InChI: InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey: SFWWGMKXCYLZEG-YFKPBYRVSA-N
SMILES: N1CCOC[C@@H]1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (95.2%)

Sicherheitsdaten

ridadr: 2735
hs_code: 2934999090
risk_code: 22
hazard_code: Xn
hazard_class: 8
packing_group: Ⅲ

Chemie und Industrie

Anwendungen

Verwenden(3S)-3-Methylmorpholine is useful in preparation of morpholinopyrimidine derivatives as mTOR kinase inhibitors for the treatment of diseases mediated by mTOR kinase and/or one or more PI3K enzymes