Home > Compound List > Compound details
150-69-6 molecular structure
click picture or here to close

(4-ethoxyphenyl)urea

ChemBase ID: 80079
Molecular Formular: C9H12N2O2
Molecular Mass: 180.20378
Monoisotopic Mass: 180.08987763
SMILES and InChIs

SMILES:
N(c1ccc(cc1)OCC)C(=O)N
Canonical SMILES:
CCOc1ccc(cc1)NC(=O)N
InChI:
InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
InChIKey:
GGLIEWRLXDLBBF-UHFFFAOYSA-N

Cite this record

CBID:80079 http://www.chembase.cn/molecule-80079.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-ethoxyphenyl)urea
IUPAC Traditional name
dulcin
Synonyms
Glycosine
N-(4-Ethoxyphenyl)urea
Sucrol
Valzin
Dulcin
CAS Number
150-69-6
MDL Number
MFCD00025431
PubChem SID
162067199
PubChem CID
9013
KEGG ID
C19415
Unique Ingredient Identifier
8U78KF577Z
Wikipedia Title
Dulcin

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 14.433487  H Acceptors
H Donor LogD (pH = 5.5) 1.0765474 
LogD (pH = 7.4) 1.0765473  Log P 1.0765474 
Molar Refractivity 50.8095 cm3 Polarizability 18.86877 Å3
Polar Surface Area 64.35 Å2

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

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