2-nitropropane
C₃H₇NO₂·89.090 g/mol·CID 398
Also known as: 79-46-9, Isonitropropane, Propane, 2-nitro-, Dimethylnitromethane, Nitroisopropane (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
89.090g/mol
Exact Mass
89.047678Da
Monoisotopic Mass
89.047678Da
XLogP
0.8
Polar Surface Area
45.8Ų
Complexity
54
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
6
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 89.1 g/mol
MW ≤ 500
✓ 0.8
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 inhaledH350May cause cancerH331Toxic if inhaledH341Suspected of causing genetic defectsH412Harmful to aquatic life with long lasting effectsH320Causes eye irritationH330Fatal if inhaledH336May cause drowsiness or dizziness
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₃H₇NO₂
ethyl carbamate
CID 5641 · 89.1 g/mol
(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
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