Methylatropine

Base Information

• Chemical Name: Methylatropine
• CAS No.: 31610-87-4
• Deprecated CAS: 47189-47-9,66027-66-5,66027-66-5
• Molecular Formula: C18H26 N O3
• Molecular Weight: 304.409
• Hs Code.: 2933990090
• UNII: 80719I460H
• DSSTox Substance ID: DTXSID5046932
• Nikkaji Number: J221.501B,J221.502K
• Wikipedia: Methylatropine
• Wikidata: Q27269116
• ChEMBL ID: CHEMBL1187724
• Mol file: 31610-87-4.mol

Synonyms:8-methylatropinium nitrate;atropine iodomethylate;atropine methonitrate;atropine methylbromide;methyl atropine;methylatropine;methylatropine bromide;methylatropine iodide;methylatropine iodide, (endo-(+-))-isomer;methylatropine iodide, (endo-3(R))-isomer;methylatropine iodide, (endo-3(S))-isomer;methylatropine iodide, 3H-labeled, (endo-(+-))-isomer;methylatropine nitrate;methylatropine nitrate, (endo-(+-))-isomer;methylatropine nitrite, (endo-(+-))-isomer;methylatropine sulfate (2:1), (endo-(+-))-isomer;methylatropine, endo-3(R)-isomer;methylatropine, endo-3(S)-isomer;N-methylatropine

Chemical Property of Methylatropine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 38.77000
• Density: g/cm³
• LogP: 2.52290
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 304.19126869
• Heavy Atom Count: 22
• Complexity: 387

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C
• Isomeric SMILES: C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C