N-NITROSO-N-METHYLURETHANE
C₄H₈N₂O₃·132.120 g/mol·CID 12001
IUPAC: ethyl N-methyl-N-nitrosocarbamate
Also known as: 615-53-2, N-Methyl-N-nitrosourethane, Methylnitrosourethane, Nitrosomethylurethane, Methylnitrosourethan (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
132.120g/mol
Exact Mass
132.053492Da
Monoisotopic Mass
132.053492Da
XLogP
0.2
Polar Surface Area
59.0Ų
Complexity
114
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 132.1 g/mol
MW ≤ 500
✓ 0.2
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H301Toxic if swallowedH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritationH341Suspected of causing genetic defectsH351Suspected of causing cancer
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₄H₈N₂O₃
(2S)-2,4-diamino-4-oxobutanoic acid
CID 6267 · 132.1 g/mol
(Z)-acetyloxymethylimino-methyl-oxidoazanium
CID 5363199 · 132.1 g/mol
3-(carbamoylamino)propanoic acid
CID 111 · 132.1 g/mol
2-[(2-aminoacetyl)amino]acetic acid
CID 11163 · 132.1 g/mol
[methyl(nitroso)amino]methyl acetate
CID 42016 · 132.1 g/mol
2,4-diamino-4-oxobutanoic acid
CID 236 · 132.1 g/mol
2-[(2-azaniumylacetyl)amino]acetate
CID 1548897 · 132.1 g/mol
(2R)-2,4-diamino-4-oxobutanoic acid
CID 439600 · 132.1 g/mol