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467-62-9 molecular structure
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tris(4-aminophenyl)methanol

ChemBase ID: 130857
Molecular Formular: C19H19N3O
Molecular Mass: 305.37366
Monoisotopic Mass: 305.15281224
SMILES and InChIs

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

Cite this record

CBID:130857 http://www.chembase.cn/molecule-130857.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(4-aminophenyl)methanol
IUPAC Traditional name
tris(4-aminophenyl)methanol
Synonyms
Parafuchsin
Paramagenta
Pararosaniline Base
CAS Number
467-62-9
EC Number
207-395-0
MDL Number
MFCD00036222
Beilstein Number
2148632
PubChem SID
24898736
162225135
24852907
PubChem CID
10084
Color Index Number
42500

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10084 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.995653  H Acceptors
H Donor LogD (pH = 5.5) 2.0886729 
LogD (pH = 7.4) 2.1507742  Log P 2.1516001 
Molar Refractivity 97.4127 cm3 Polarizability 35.40413 Å3
Polar Surface Area 98.29 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
purple crystalline expand Show data source
Melting Point
205 °C (dec.)(lit.) expand Show data source
Absorption Wavelength
λmax 544 nm expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
40 expand Show data source
Safety Statements
36/37 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H351 expand Show data source
GHS Precautionary statements
P281 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Grade
for microscopy expand Show data source
Compostion
Dye content, 95% expand Show data source
Empirical Formula (Hill Notation)
C19H19N3O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 215600 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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