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4103-60-0 molecular structure
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2-(2-aminophenyl)acetamide

ChemBase ID: 256204
Molecular Formular: C8H10N2O
Molecular Mass: 150.1778
Monoisotopic Mass: 150.07931295
SMILES and InChIs

SMILES:
C(=O)(Cc1c(N)cccc1)N
Canonical SMILES:
NC(=O)Cc1ccccc1N
InChI:
InChI=1S/C8H10N2O/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKey:
TXMURLRUEUBDHN-UHFFFAOYSA-N

Cite this record

CBID:256204 http://www.chembase.cn/molecule-256204.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-aminophenyl)acetamide
IUPAC Traditional name
2-(2-aminophenyl)acetamide
Synonyms
2-(2-aminophenyl)acetamide
2-AMINOPHENYLACETAMIDE
CAS Number
4103-60-0
MDL Number
MFCD06659776
PubChem SID
164312114
PubChem CID
278286

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 278286 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.564293  H Acceptors
H Donor LogD (pH = 5.5) -0.031133432 
LogD (pH = 7.4) -0.024953827  Log P -0.024874462 
Molar Refractivity 43.8882 cm3 Polarizability 16.35576 Å3
Polar Surface Area 69.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.823 expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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