Metabolite 4-hydroxyamphetamine
- Name
- 4-hydroxyamphetamine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 151.2056
Monoisotopic: 151.099714043 - Chemical Formula
- C9H13NO
- InChI Key
- GIKNHHRFLCDOEU-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
- IUPAC Name
- 4-(2-aminopropyl)phenol
- SMILES
- CC(N)CC1=CC=C(O)C=C1
- Reactions
- Metamfetamine 4-hydroxyamphetamine
- Amphetamine 4-hydroxyamphetamine and Norephedrine
- 4-hydroxyamphetamine 4-Hydroxynorephedrine
- Dextroamphetamine 4-hydroxyamphetamine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 136.8650887 predictedDarkChem Lite v0.1.0 [M-H]- 133.74898 predictedDeepCCS 1.0 (2019) [M-H]- 136.8650887 predictedDarkChem Lite v0.1.0 [M-H]- 133.74898 predictedDeepCCS 1.0 (2019) [M+H]+ 137.9569887 predictedDarkChem Lite v0.1.0 [M+H]+ 137.47163 predictedDeepCCS 1.0 (2019) [M+H]+ 137.9569887 predictedDarkChem Lite v0.1.0 [M+H]+ 137.47163 predictedDeepCCS 1.0 (2019) [M+Na]+ 136.6392887 predictedDarkChem Lite v0.1.0 [M+Na]+ 146.94884 predictedDeepCCS 1.0 (2019) [M+Na]+ 136.6392887 predictedDarkChem Lite v0.1.0 [M+Na]+ 146.94884 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0060765
- ChemSpider
- 3525
- BindingDB
- 81459
- ChEBI
- 103855
- ChEMBL
- CHEMBL1546
- Wikipedia
- 4-Hydroxyamphetamine
- Predicted Properties
Property Value Source Water Solubility 3.13 mg/mL ALOGPS logP 0.58 ALOGPS logP 1 Chemaxon logS -1.7 ALOGPS pKa (Strongest Acidic) 10.48 Chemaxon pKa (Strongest Basic) 9.8 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 46.25 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 45.69 m3·mol-1 Chemaxon Polarizability 17.17 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon