2-METHYL-2-NITRO-1-PROPANOL
C₄H₉NO₃·119.120 g/mol·CID 6442
IUPAC: 2-methyl-2-nitropropan-1-ol
Also known as: 76-39-1, 2-Methyl-2-nitropropan-1-ol, 1-Propanol, 2-methyl-2-nitro-, 2-Methyl-2-nitropropanol, 2-Nitro-2-methylpropanol (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
119.120g/mol
Exact Mass
119.058243Da
Monoisotopic Mass
119.058243Da
XLogP
-0.1
Polar Surface Area
66.1Ų
Complexity
93
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
1
Heavy Atoms
8
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 119.1 g/mol
MW ≤ 500
✓ -0.1
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH319Causes serious eye irritationH412Harmful to aquatic life with long lasting effects
Source: PubChem GHS Classification. Always consult the SDS for handling.