tris(4-aminophenyl)methanol

• ChemBase ID: 130857
• Molecular Formular: C19H19N3O
• Molecular Mass: 305.37366
• Monoisotopic Mass: 305.15281224
• SMILES: c1cc(ccc1C(c1ccc(cc1)N)(c1ccc(cc1)N)O)N
• Canonical SMILES: OC(c1ccc(cc1)N)(c1ccc(cc1)N)c1ccc(cc1)N
• InChI: InChI=1S/C19H19N3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H,20-22H2
• InChIKey: KRVRUAYUNOQMOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(4-aminophenyl)methanol
• IUPAC Traditional name: tris(4-aminophenyl)methanol
• Synonyms: Parafuchsin; Paramagenta; Pararosaniline Base

Database IDs

• CAS Number: 467-62-9
• EC Number: 207-395-0
• MDL Number: MFCD00036222
• Beilstein Number: 2148632
• PubChem SID: 24852907; 24898736; 162225135
• PubChem CID: 10084
• Color Index Number: 42500

CALCULATED PROPERTIES

• Acid pKa: 12.995653
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 2.0886729
• LogD (pH = 7.4): 2.1507742
• Log P: 2.1516001
• Molar Refractivity: 97.4127 cm^3
• Polarizability: 35.40413 Å^3
• Polar Surface Area: 98.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: purple crystalline
• Melting Point: 205 °C (dec.)(lit.)
• Absorption Wavelength: λmax 544 nm

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 40
• Safety Statements: 36/37
• GHS Pictograms: GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H351
• GHS Precautionary statements: P281
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: for microscopy
• Compostion: Dye content, 95%
• Empirical Formula (Hill Notation): C19H19N3O

DETAILS

Sigma Aldrich - 215600

Packaging
10 g in glass bottle