Metabolite 4-Hydroxynorephedrine
- Name
- 4-Hydroxynorephedrine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 167.205
Monoisotopic: 167.094628665 - Chemical Formula
- C9H13NO2
- InChI Key
- JAYBQRKXEFDRER-HZGVNTEJSA-N
- InChI
- InChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m1/s1
- IUPAC Name
- 4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol
- SMILES
- C[C@@H](N)[C@@H](O)C1=CC=C(O)C=C1
- Reactions
- Metamfetamine 4-Hydroxynorephedrine
- Amphetamine 4-hydroxyamphetamine and Norephedrine
- 4-hydroxyamphetamine 4-Hydroxynorephedrine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 142.0214449 predictedDarkChem Lite v0.1.0 [M-H]- 143.81694 predictedDeepCCS 1.0 (2019) [M+H]+ 142.7023449 predictedDarkChem Lite v0.1.0 [M+H]+ 146.21252 predictedDeepCCS 1.0 (2019) [M+Na]+ 142.1495449 predictedDarkChem Lite v0.1.0 [M+Na]+ 152.12503 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0060592
- ChemSpider
- 5305325
- ZINC
- ZINC000000154803
- Wikipedia
- P-Hydroxynorephedrine
- Predicted Properties
Property Value Source Water Solubility 11.9 mg/mL ALOGPS logP -0.47 ALOGPS logP -0.05 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 9.74 Chemaxon pKa (Strongest Basic) 9.13 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 66.48 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 46.89 m3·mol-1 Chemaxon Polarizability 17.98 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