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4481-51-0 molecular structure
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2-({[(2-hydroxyphenyl)methyl]amino}methyl)phenol

ChemBase ID: 171558
Molecular Formular: C14H15NO2
Molecular Mass: 229.2744
Monoisotopic Mass: 229.11027873
SMILES and InChIs

SMILES:
c1cccc(c1O)CNCc1ccccc1O
Canonical SMILES:
Oc1ccccc1CNCc1ccccc1O
InChI:
InChI=1S/C14H15NO2/c16-13-7-3-1-5-11(13)9-15-10-12-6-2-4-8-14(12)17/h1-8,15-17H,9-10H2
InChIKey:
ARMZYJYJGIRLRX-UHFFFAOYSA-N

Cite this record

CBID:171558 http://www.chembase.cn/molecule-171558.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-({[(2-hydroxyphenyl)methyl]amino}methyl)phenol
IUPAC Traditional name
2-({[(2-hydroxyphenyl)methyl]amino}methyl)phenol
Synonyms
α,α'-Iminodi-o-Cresol
2,2'-Dihydroxydibenzylamine
Bis(2-hydroxybenzyl)amine
Bis(o-hydroxybenzylamine)
NSC 119557
NSC 26194
NSC 407941
2,2'-[Iminobis(methylene)]bisphenol
CAS Number
4481-51-0
PubChem SID
164227468
PubChem CID
230856

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC I400300 external link Add to cart
PubChem 230856 external link
Data Source Data ID Price
TRC
I400300 external link Add to cart Please log in.
Data Source Data ID
PubChem 230856 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.026543  H Acceptors
H Donor LogD (pH = 5.5) -0.44505212 
LogD (pH = 7.4) 0.8363609  Log P 1.1893272 
Molar Refractivity 67.8804 cm3 Polarizability 26.344309 Å3
Polar Surface Area 52.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol (Sparingly) expand Show data source
Apperance
Beige Solid expand Show data source
Melting Point
163-165°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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