NITROETHANE
C₂H₅NO₂·75.070 g/mol·CID 6587
IUPAC: 1-nitroethane
Also known as: 79-24-3, Ethane, nitro-, Nitroethan, Nitroetan, DTXSID8020969 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
75.070g/mol
Exact Mass
75.032028Da
Monoisotopic Mass
75.032028Da
XLogP
0.2
Polar Surface Area
45.8Ų
Complexity
37
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
5
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 75.1 g/mol
MW ≤ 500
✓ 0.2
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H226Flammable liquid and vaporH302Harmful if swallowedH332Harmful if inhaledH331Toxic if inhaledH412Harmful to aquatic life with long lasting effectsH320Causes eye irritationH335May cause respiratory irritationH336May cause drowsiness or dizzinessH370Causes damage to organsH401Toxic to aquatic life
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₂H₅NO₂
2-aminoacetic acid
CID 750 · 75.1 g/mol
ethyl nitrite
CID 8026 · 75.1 g/mol
N-hydroxyacetamide
CID 1990 · 75.1 g/mol
methyl carbamate
CID 11722 · 75.1 g/mol
2-hydroxyacetamide
CID 69021 · 75.1 g/mol
2-azaniumylacetate
CID 5257127 · 75.1 g/mol
N-(hydroxymethyl)formamide
CID 83086 · 75.1 g/mol
deuterio 2,2-dideuterio-2-(dideuterioamino)acetate
CID 2723970 · 80.1 g/mol