bis(2-methoxy-4-(morpholin-4-yl)benzene-1-diazonium) dichlorozinc dichloride

• ChemBase ID: 150113
• Molecular Formular: C22H28Cl4N6O4Zn
• Molecular Mass: 647.68752
• Monoisotopic Mass: 644.02175613
• SMILES: COc1cc(ccc1[N+]#N)N1CCOCC1.COc1cc(ccc1[N+]#N)N1CCOCC1.[Cl-].[Cl-].Cl[Zn]Cl
• Canonical SMILES: COc1cc(ccc1[N+]#N)N1CCOCC1.COc1cc(ccc1[N+]#N)N1CCOCC1.Cl[Zn]Cl.[Cl-].[Cl-]
• InChI: InChI=1S/2C11H14N3O2.4ClH.Zn/c2*1-15-11-8-9(2-3-10(11)13-12)14-4-6-16-7-5-14;;;;;/h2*2-3,8H,4-7H2,1H3;4*1H;/q2*+1;;;;;+2/p-4
• InChIKey: UKEGNQLCNXRWNG-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methoxy-4-(morpholin-4-yl)benzene-1-diazonium) dichlorozinc dichloride
• IUPAC Traditional name: bis(2-methoxy-4-(morpholin-4-yl)benzenediazonium) zinc chloride dichloride
• Synonyms: 2-Methoxy-4-morpholinobenzenediazonium chloride zinc chloride double salt; 2-甲氧基-4-吗啉基苯重氮化氯 氯化锌复盐

Database IDs

• CAS Number: 67801-08-5
• EC Number: 267-127-3
• PubChem SID: 162244275; 24896682
• PubChem CID: 16219627

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5416114
• LogD (pH = 7.4): 1.5416114
• Log P: 1.5416114
• Molar Refractivity: 81.6704 cm^3
• Polarizability: 22.657639 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 131 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Empirical Formula (Hill Notation): C11H14N3O2 · 0.5 Cl4Zn

DETAILS

Sigma Aldrich - M16806

Packaging
25 g in poly bottle
5 g in glass bottle
Application
Reactant used in multi-step click reactions for preparation of azides1