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MFCD11212722 molecular structure
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3-amino-1-(4-methoxyphenyl)urea

ChemBase ID: 280187
Molecular Formular: C8H11N3O2
Molecular Mass: 181.19184
Monoisotopic Mass: 181.08512661
SMILES and InChIs

SMILES:
C(=O)(Nc1ccc(cc1)OC)NN
Canonical SMILES:
NNC(=O)Nc1ccc(cc1)OC
InChI:
InChI=1S/C8H11N3O2/c1-13-7-4-2-6(3-5-7)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12)
InChIKey:
RRLBDHCXNYCIIU-UHFFFAOYSA-N

Cite this record

CBID:280187 http://www.chembase.cn/molecule-280187.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-1-(4-methoxyphenyl)urea
IUPAC Traditional name
3-amino-1-(4-methoxyphenyl)urea
Synonyms
3-amino-1-(4-methoxyphenyl)urea
MDL Number
MFCD11212722
PubChem SID
180665718
PubChem CID
10943076

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87275 external link Add to cart Please log in.
Data Source Data ID
PubChem 10943076 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.39644  H Acceptors
H Donor LogD (pH = 5.5) 0.42219785 
LogD (pH = 7.4) 0.42324984  Log P 0.4232637 
Molar Refractivity 50.545 cm3 Polarizability 18.466576 Å3
Polar Surface Area 76.38 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
146 - 148°C expand Show data source
Hydrophobicity(logP)
0.034 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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