CAS 74572-04-6 (R)-3-Methylmorpholine (HCID 641498)

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Basic information

CAS: 74572-04-6
Standard SMILES: C[C@@H]1COCCN1
InChIKey: SFWWGMKXCYLZEG-RXMQYKEDSA-N
Molecular formula: C5H11NO
Average molar mass: 101.15 g/mol
Monoisotopic mass: 101.08406397

Names & identifiers

Preferred name: (R)-3-Methylmorpholine
IUPAC: (3R)-3-methylmorpholine
English name: (R)-3-Methylmorpholine
Molecular formula: C5H11NO
Molecular weight: 101.15

Names & synonyms

(R)-3-METHYLMORPHOLINE74572-04-6DTXSID40348918RefChem:1051068DTXCID80299990(3R)-3-methylmorpholine(R)-3-Methyl-morpholineMFCD106984823-(R)-methylmorpholineSCHEMBL306399CS-D1634AKOS015840257

Show more names

(R)-3-MethyLR-methylmorpholine-D7elagolix intermediate 8Morpholine, 3-methyl-, (R)-(R)-3-Methylmorpholine(WX900060)(R)-3-MethylmorpholineortheHClsalthigh quality (R)-3-Methylmorpholine

GS-4508AC-22431Morpholine, 3-methyl-, (3R)-AM804311A9544SCHEMBL1609662SCHEMBL3609296SCHEMBL31741248

Database identifiers

CAS: 74572-04-6
PubChem CID: 641498
DTXSID: DTXSID40348918
Nikkaji: J3.148.979B

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 56

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point: 137.1 · 137.1±15.0 °C(Predicted)
Density: 0.891 · 0.891±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 9.03 · 9.03±0.40(Predicted)
form: liquid
color: Colourless
InChI: InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKey: SFWWGMKXCYLZEG-RXMQYKEDSA-N
SMILES: N1CCOC[C@H]1C
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H319
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501

Safety & regulation

Safety data

hs_code: 2934999090
Signal word: Danger
Symbol(GHS): GHS02,GHS07
Hazard statements: H225-H319
Precautionary statements: P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501

Chemistry & industry

Applications

Uses(R)-3-Methylmorpholine is useful for the discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-yl]-1-(3-methyl-2-oxobutyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, an inhibitor of Vps34 for the treatment of solid tumors.