(-)-Homatropine

Base Information

• Chemical Name: (-)-Homatropine
• CAS No.: 51017-31-3
• Molecular Formula: C16H21NO3
• Molecular Weight: 275.34
• DSSTox Substance ID: DTXSID80858824
• Nikkaji Number: J221.500D
• ChEMBL ID: CHEMBL1363347,CHEMBL1452657
• Mol file: 51017-31-3.mol

Synonyms:NSC-60600;(-)-Homatropine;CAS-51-56-9;Lopac-H-0126;NCGC00016230-01;NCIStruc1_000590;NCIStruc2_000353;CHEMBL1363347;CHEMBL1452657;DTXSID80858824;NCI60600;CCG-37466;NCGC00013718;NCGC00013718-02;NCGC00015489-01;NCGC00096829-01;PD132615;51017-31-3

Chemical Property of (-)-Homatropine

Chemical Property:

• Boiling Point: 403.3±45.0 °C(Predicted)
• PKA: 12.10±0.20(Predicted)
• Density: 1.21±0.1 g/cm3(Predicted)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 275.15214353
• Heavy Atom Count: 20
• Complexity: 340

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O
• Isomeric SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](C3=CC=CC=C3)O