3-Methyl-1-nitrobutan-2-ol
Basic information
- CAS
2224-38-6- Standard SMILES
CC(C)C(O)C[N+](=O)[O-]- InChIKey
KJTQHXTUICAYHG-UHFFFAOYSA-N- Molecular formula
- C5H11NO3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.07389321
Names & identifiers
- Preferred name
- 3-Methyl-1-nitrobutan-2-ol
- IUPAC
- 3-methyl-1-nitrobutan-2-ol
- English name
- 3-methyl-1-nitro-butan-2-ol
- Molecular formula
- C5H11NO3
- Molecular weight
- 0
Names & synonyms
3-methyl-1-nitrobutan-2-ol2224-38-62-Butanol,3-methyl-1-nitro-NSC176843-METHYL-1-NITRO-BUTAN-2-OLSCHEMBL17151671NSC-17684AKOS040695126V10283
Database identifiers
- CAS
2224-38-6- PubChem CID
- 226822
- Nikkaji
- J1.135.111E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 96.9
Physicochemical properties
- HS Code
- 2905590090 · 2905590090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2905590090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…