1-NITROPROPANE
C₃H₇NO₂·89.090 g/mol·CID 7903
IUPAC: 1-nitropropane
Also known as: 108-03-2, Propane, 1-nitro-, DTXSID1020980, NSC-6363, 39W305OW99 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
89.090g/mol
Exact Mass
89.047678Da
Monoisotopic Mass
89.047678Da
XLogP
0.9
Polar Surface Area
45.8Ų
Complexity
47
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
6
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 89.1 g/mol
MW ≤ 500
✓ 0.9
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 swallowedH312Harmful in contact with skinH332Harmful if inhaledH331Toxic if inhaledH319Causes serious eye irritationH335May cause respiratory irritationH336May cause drowsiness or dizzinessH370Causes damage to organsH351Suspected of causing cancer
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
2-nitropropane
CID 398 · 89.1 g/mol
(2R)-2-aminopropanoic acid
CID 71080 · 89.1 g/mol
(2S)-2-azaniumylpropanoate
CID 7311724 · 89.1 g/mol