Dimethyl(spiro(dibenz(b,e)oxepin-11(6H),2'-(1,3)dioxolane)-4'-methyl)ammonium maleate

Base Information

• Chemical Name: Dimethyl(spiro(dibenz(b,e)oxepin-11(6H),2'-(1,3)dioxolane)-4'-methyl)ammonium maleate
• CAS No.: 54061-21-1
• Molecular Formula: C23H25NO7
• Molecular Weight: 427.45
• European Community (EC) Number: 258-949-3
• Mol file: 54061-21-1.mol

Synonyms:EINECS 258-949-3;54061-21-1;Dimethyl(spiro(dibenz(b,e)oxepin-11(6H),2'-(1,3)dioxolane)-4'-methyl)ammonium maleate;(Z)-4-hydroxy-4-oxobut-2-enoate;trimethyl(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)azanium;C19H21NO3.xC4H4O4;C19-H21-N-O3.x-C4-H4-O4;Dimethyl[spiro[dibenz[b,e]oxepin-11(6H),2'-[1,3]dioxolane]-4'-methyl]ammonium maleate

Chemical Property of Dimethyl(spiro(dibenz(b,e)oxepin-11(6H),2'-(1,3)dioxolane)-4'-methyl)ammonium maleate

Chemical Property:

• PSA: 105.12000
• LogP: 1.23630
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 427.16310214
• Heavy Atom Count: 31
• Complexity: 564

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)C1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24.C(=CC(=O)[O-])C(=O)O
• Isomeric SMILES: C[N+](C)(C)C1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24.C(=C\C(=O)[O-])\C(=O)O

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