Bietanautine

Base Information

• Chemical Name: Bietanautine
• CAS No.: 6888-11-5
• Deprecated CAS: 53567-48-9
• Molecular Formula: C35H41N9O9
• Molecular Weight: 731.7549
• UNII: F3D8G86A29
• Wikidata: Q27277582
• Mol file: 6888-11-5.mol

Synonyms:Bietanautine;Nautamine;6888-11-5;Diphenhydramine di(acefyllinate);F3D8G86A29;UNII-F3D8G86A29;1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid compd with 2-(diphenylmethoxy)-N,N-dimethylethanamine (2:1);O-Benzhydryldimethylaminoethanol bis(theophylline 7-acetate);SCHEMBL49392;DIPHENHYDRAMINE ACEFYLLINATE;DIPHENHYDRAMINE DIACEFYLLINATE;DIPHENHYDRAMINE ACEFYLLINATE [WHO-DD];DIPHENHYDRAMINE DI(ACEFYLLINATE) [MI];DIPHENHYDRAMINE DI(ACEFYLLINATE) [MART.];Q27277582

Chemical Property of Bietanautine

Chemical Property:

• Vapor Pressure: 6.9E-05mmHg at 25°C
• Melting Point: 168-170°
• Boiling Point: 343.7°C at 760 mmHg
• Flash Point: 101.5°C
• PSA: 111.59000
• LogP: 1.87250
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 731.30272392
• Heavy Atom Count: 53
• Complexity: 597

Purity/Quality:

98%Min ^*data from raw suppliers

BIETANAUTINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2