7529-22-8
C₅H₁₁NO₂·117.150 g/mol·CID 82029
IUPAC: 4-methyl-4-oxidomorpholin-4-ium
Also known as: 4-Methylmorpholine 4-oxide, N-Methylmorpholine oxide, N-Methylmorpholine N-oxide, Morpholine, 4-methyl-, 4-oxide, Methyl morpholine oxide (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
117.150g/mol
Exact Mass
117.078979Da
Monoisotopic Mass
117.078979Da
XLogP
-0.7
Polar Surface Area
27.3Ų
Complexity
78
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
8
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 117.2 g/mol
MW ≤ 500
✓ -0.7
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H228Flammable solidH272May intensify fire; oxidizerH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritationH361Suspected of damaging fertility or the unborn child
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₁₁NO₂
3-methylbutyl nitrite
CID 8053 · 117.2 g/mol
2-(trimethylazaniumyl)acetate
CID 247 · 117.2 g/mol
(2S)-2-amino-3-methylbutanoic acid
CID 6287 · 117.2 g/mol
5-aminopentanoic acid
CID 138 · 117.2 g/mol
pentyl nitrite
CID 10026 · 117.2 g/mol
2-amino-3-methylbutanoic acid
CID 1182 · 117.2 g/mol
(2R)-2-amino-3-methylbutanoic acid
CID 71563 · 117.2 g/mol
(2S)-2-aminopentanoic acid
CID 65098 · 117.2 g/mol