Milliamine C

Base Information

• Chemical Name: Milliamine C
• CAS No.: 49620-09-9
• Molecular Formula: C43H47 N3 O9
• Molecular Weight: 749.861
• Nikkaji Number: J21.653D
• Mol file: 49620-09-9.mol

Synonyms:Milliamine C;49620-09-9;Benzoic acid, 2-((2-((2-(dimethylamino)benzoyl)amino)-3-hydroxybenzoyl)amino)-, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl ester, (1aR-(1aalpha,2beta,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha))-;C43H47N3O9;C43-H47-N3-O9

Chemical Property of Milliamine C

Chemical Property:

• Vapor Pressure: 6.58E-28mmHg at 25°C
• Boiling Point: 812.6°Cat760mmHg
• Flash Point: 445.2°C
• Density: 1.41g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 749.33123009
• Heavy Atom Count: 55
• Complexity: 1610

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C5=CC=CC=C5NC(=O)C6=C(C(=CC=C6)O)NC(=O)C7=CC=CC=C7N(C)C)C)O)O)CO
• Isomeric SMILES: C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4OC(=O)C5=CC=CC=C5NC(=O)C6=C(C(=CC=C6)O)NC(=O)C7=CC=CC=C7N(C)C)C)O)O)CO