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119-58-4 molecular structure
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bis[4-(dimethylamino)phenyl]methanol

ChemBase ID: 137100
Molecular Formular: C17H22N2O
Molecular Mass: 270.36938
Monoisotopic Mass: 270.17321333
SMILES and InChIs

SMILES:
CN(C)c1ccc(cc1)C(c1ccc(cc1)N(C)C)O
Canonical SMILES:
OC(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
InChI:
InChI=1S/C17H22N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12,17,20H,1-4H3
InChIKey:
YLZSIUVOIFJGQZ-UHFFFAOYSA-N

Cite this record

CBID:137100 http://www.chembase.cn/molecule-137100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis[4-(dimethylamino)phenyl]methanol
IUPAC Traditional name
bis[4-(dimethylamino)phenyl]methanol
Synonyms
BDC-OH
4,4′-Bis(dimethylamino)benzhydrol
4,4′-Bis(dimethylamino)diphenyl carbinol
4,4'-二(N,N-二甲氨基)二苯基甲醇
4,4′-双(二甲氨基)二苯基甲醇
CAS Number
119-58-4
EC Number
204-335-5
MDL Number
MFCD00008313
Beilstein Number
2131843
PubChem SID
24888467
162231365
PubChem CID
92742

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
858552 external link Add to cart Please log in.
Data Source Data ID
PubChem 92742 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.9407425  H Acceptors
H Donor LogD (pH = 5.5) 3.0600922 
LogD (pH = 7.4) 3.2042224  Log P 3.206224 
Molar Refractivity 86.0139 cm3 Polarizability 32.042366 Å3
Polar Surface Area 26.71 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
100-102 °C(lit.) expand Show data source
RTECS
DC7525000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
Linear Formula
[(CH3)2NC6H4]2CHOH expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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