(1S,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol

Base Information

• Chemical Name: (1S,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
• CAS No.: 99102-04-2
• Molecular Formula: C13H20ClNO
• Molecular Weight: 241.76
• Hs Code.: 9999999999
• UNII: YI65RR2TFJ
• DSSTox Substance ID: DTXSID901314823
• Nikkaji Number: J866.508G
• Wikipedia: Erythrohydrobupropion
• ChEMBL ID: CHEMBL4457345
• Mol file: 99102-04-2.mol

Synonyms:erythrohydrobupropion;hydrobupropion;threohydrobupropion

Chemical Property of (1S,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 51-52°C
• Refractive Index: 1.527
• Boiling Point: 347.2 °C at 760 mmHg
• PKA: 13.67±0.20(Predicted)
• Flash Point: 163.8 °C
• PSA: 32.26000
• Density: 1.078 g/cm³
• LogP: 3.54090
• Storage Temp.: Refrigerator
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 241.1233420
• Heavy Atom Count: 16
• Complexity: 215

Purity/Quality:

98%Min ^*data from raw suppliers

racerythro-DihydroBupropion ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=CC(=CC=C1)Cl)O)NC(C)(C)C
• Isomeric SMILES: C[C@H]([C@H](C1=CC(=CC=C1)Cl)O)NC(C)(C)C