Home > Compound List > Compound details
27311-52-0 molecular structure
click picture or here to close

4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol

ChemBase ID: 797115
Molecular Formular: C13H14N2O2
Molecular Mass: 230.26246
Monoisotopic Mass: 230.1055277
SMILES and InChIs

SMILES:
C(c1c(ccc(c1)N)O)c1c(ccc(c1)N)O
Canonical SMILES:
Oc1ccc(cc1Cc1cc(N)ccc1O)N
InChI:
InChI=1S/C13H14N2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5,14-15H2
InChIKey:
HLIGKHFHQXRAOX-UHFFFAOYSA-N

Cite this record

CBID:797115 http://www.chembase.cn/molecule-797115.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol
IUPAC Traditional name
4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol
Synonyms
2,2'-Methylenebis(4-aMinophenol)
CAS Number
27311-52-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O5833 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O5833 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.937279  H Acceptors
H Donor LogD (pH = 5.5) 1.2835335 
LogD (pH = 7.4) 1.7587807  Log P 1.8000573 
Molar Refractivity 69.1578 cm3 Polarizability 25.171787 Å3
Polar Surface Area 92.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle