Imidazole-5-methanol, 2-nitro-alpha,alpha,1-trimethyl-
Completing data — refresh the page later to see the latest
Basic information
- CAS
60628-92-4- Standard SMILES
Cn1c(C(C)(C)O)cnc1[N+](=O)[O-]- InChIKey
WLOXDXOPKNBBFP-UHFFFAOYSA-N- Molecular formula
- C7H11N3O3
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.08004122
Names & identifiers
- Preferred name
- Imidazole-5-methanol, 2-nitro-alpha,alpha,1-trimethyl-
- IUPAC
- 2-(3-methyl-2-nitroimidazol-4-yl)propan-2-ol
- English name
- α,α,1-Trimethyl-2-nitro-1H-imidazole-5-methanol
- Molecular formula
- C7H11N3O3
- Molecular weight
- 185.18
Names & synonyms
60628-92-4Imidazole-5-methanol, 2-nitro-alpha,alpha,1-trimethyl-NSC 298515BRN 0882890L 12134Imidazole, 5-(2-hydroxy-2-propyl)-1-methyl-2-nitro-2-Nitro-alpha,alpha,1-trimethylimidazole-5-methanol5-(2-Hydroxy-2-propyl)-1-methyl-2-nitroimidazoleDTXSID202094375-23-11-00043 (Beilstein Handbook Reference)RefChem:348913DTXCID40131928
Show more names
α,α,1-Trimethyl-2-nitro-1H-imidazole-5-methanol1H-Imidazole-5-methanol, α,α,1-trimethyl-2-nitro-
2-(1-methyl-2-nitro-1H-imidazol-5-yl)propan-2-olNSC298515NSC-298515alpha,alpha,1-Trimethyl-2-nitro-1H-imidazole-5-methanol2-(3-methyl-2-nitroimidazol-4-yl)propan-2-ol2-(3-methyl-2-nitro-3H-imidazol-4-yl)-propan-2-olDA35224QJCSCHEMBL5631926
Database identifiers
- CAS
60628-92-4- PubChem CID
- 100436
- DTXSID
DTXSID20209437- ChEMBL
CHEMBL3274998- UNII
- DA35224QJC
- Nikkaji
- J86.850G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
LogP0.43
Physicochemical properties
- Boiling point
- 392.7 · 392.7±34.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 13.93 · 13.93±0.29(Predicted)
- FDA UNII
- 35224 QJC · DA35224QJC
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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