Metabolite Nitrophentermine
- Name
- Nitrophentermine
- Description
- Not Available
- Structure
Structure for Nitrophentermine
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 179.219
Monoisotopic: 179.094628663 - Chemical Formula
- C10H13NO2
- InChI Key
- OJTKLJUNTHGXRY-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H13NO2/c1-10(2,11(12)13)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
- IUPAC Name
- (2-methyl-2-nitropropyl)benzene
- SMILES
- CC(C)(CC1=CC=CC=C1)N(=O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 142.1201959 predictedDarkChem Lite v0.1.0 [M-H]- 134.86714 predictedDeepCCS 1.0 (2019) [M+H]+ 143.0980959 predictedDarkChem Lite v0.1.0 [M+H]+ 138.69447 predictedDeepCCS 1.0 (2019) [M+Na]+ 142.7510959 predictedDarkChem Lite v0.1.0 [M+Na]+ 147.96504 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 2338510
- Predicted Properties
Property Value Source Water Solubility 0.0835 mg/mL ALOGPS logP 3.08 ALOGPS logP 2.73 Chemaxon logS -3.3 ALOGPS Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 45.82 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 51.01 m3·mol-1 Chemaxon Polarizability 18.73 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon