dioxomolybdenumdiol diamine

• ChemBase ID: 151209
• Molecular Formular: H8MoN2O4
• Molecular Mass: 196.03452
• Monoisotopic Mass: 197.95381475
• SMILES: N.N.O[Mo](=O)(=O)O
• Canonical SMILES: O[Mo](=O)(=O)O.N.N
• InChI: InChI=1S/Mo.2H3N.2H2O.2O/h;2*1H3;2*1H2;;/q+2;;;;;;/p-2
• InChIKey: LZRXBDCICLHKEN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dioxomolybdenumdiol diamine
• IUPAC Traditional name: molybdic acid diamine
• Synonyms: Ammonium molybdate; 钼酸铵

Database IDs

• CAS Number: 13106-76-8
• EC Number: 236-031-3
• MDL Number: MFCD00011596
• PubChem SID: 162245366; 24856791
• PubChem CID: 16211800

CALCULATED PROPERTIES

• Acid pKa: -2.30103
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.970884
• LogD (pH = 7.4): -6.2965326
• Log P: -1.7752
• Molar Refractivity: 8.015 cm^3
• Polarizability: 8.019182 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: ethanol: insoluble
• Apperance: solid

Safety Information

• RTECS: QA4900000
• German water hazard class: 1
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.98% trace metals basis
• Linear Formula: (NH4)2MoO4

DETAILS

Sigma Aldrich - 277908

Packaging
5, 20, 100 g in poly bottle