urethane
C₃H₇NO₂·89.090 g/mol·CID 5641
IUPAC: ethyl carbamate
Also known as: ETHYL CARBAMATE, 51-79-6, Carbamic acid, ethyl ester, Leucethane, Pracarbamine (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
89.090g/mol
Exact Mass
89.047678Da
Monoisotopic Mass
89.047678Da
XLogP
-0.2
Polar Surface Area
52.3Ų
Complexity
52
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
2
Heavy Atoms
6
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 89.1 g/mol
MW ≤ 500
✓ -0.2
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H350May cause cancerH302Harmful if swallowedH312Harmful in contact with skinH336May cause drowsiness or dizzinessH341Suspected of causing genetic defectsH361Suspected of damaging fertility or the unborn childH373May causes damage to organs through prolonged or repeated exposureH340May cause genetic defectsH351Suspected of causing cancer
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₃H₇NO₂
(2S)-2-aminopropanoic acid
CID 5950 · 89.1 g/mol
2-(methylamino)acetic acid
CID 1088 · 89.1 g/mol
3-aminopropanoic acid
CID 239 · 89.1 g/mol
2-aminopropanoic acid
CID 602 · 89.1 g/mol
2-nitropropane
CID 398 · 89.1 g/mol
1-nitropropane
CID 7903 · 89.1 g/mol
(2R)-2-aminopropanoic acid
CID 71080 · 89.1 g/mol
(2S)-2-azaniumylpropanoate
CID 7311724 · 89.1 g/mol