Home > Compound List > Compound details
1220-78-6 molecular structure
click picture or here to close

2-amino-4-[2-(3-amino-4-hydroxyphenyl)propan-2-yl]phenol

ChemBase ID: 796620
Molecular Formular: C15H18N2O2
Molecular Mass: 258.31562
Monoisotopic Mass: 258.13682783
SMILES and InChIs

SMILES:
CC(C)(c1cc(c(cc1)O)N)c1cc(c(cc1)O)N
Canonical SMILES:
Oc1ccc(cc1N)C(c1ccc(c(c1)N)O)(C)C
InChI:
InChI=1S/C15H18N2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,16-17H2,1-2H3
InChIKey:
UHIDYCYNRPVZCK-UHFFFAOYSA-N

Cite this record

CBID:796620 http://www.chembase.cn/molecule-796620.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4-[2-(3-amino-4-hydroxyphenyl)propan-2-yl]phenol
IUPAC Traditional name
2-amino-4-[2-(3-amino-4-hydroxyphenyl)propan-2-yl]phenol
Synonyms
4,4'-(Propane-2,2-diyl)bis(2-aMinophenol)
CAS Number
1220-78-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3641 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O3641 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.1093  H Acceptors
H Donor LogD (pH = 5.5) 2.3140771 
LogD (pH = 7.4) 2.3852074  Log P 2.3871236 
Molar Refractivity 88.6759 cm3 Polarizability 28.854908 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