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74617-73-5 molecular structure
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N-(4-aminophenyl)cyclopropanecarboxamide

ChemBase ID: 22886
Molecular Formular: C10H12N2O
Molecular Mass: 176.21508
Monoisotopic Mass: 176.09496301
SMILES and InChIs

SMILES:
C(=O)(C1CC1)Nc1ccc(N)cc1
Canonical SMILES:
O=C(C1CC1)Nc1ccc(cc1)N
InChI:
InChI=1S/C10H12N2O/c11-8-3-5-9(6-4-8)12-10(13)7-1-2-7/h3-7H,1-2,11H2,(H,12,13)
InChIKey:
QKOLSDDMVFYWJC-UHFFFAOYSA-N

Cite this record

CBID:22886 http://www.chembase.cn/molecule-22886.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-aminophenyl)cyclopropanecarboxamide
IUPAC Traditional name
N-(4-aminophenyl)cyclopropanecarboxamide
Synonyms
N-(4-Aminophenyl)cyclopropanecarboxamide
CAS Number
74617-73-5
MDL Number
MFCD08593619
PubChem SID
160986193
PubChem CID
16227631

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16227631 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.684721  H Acceptors
H Donor LogD (pH = 5.5) 1.147769 
LogD (pH = 7.4) 1.1616466  Log P 1.1618265 
Molar Refractivity 53.0206 cm3 Polarizability 19.29939 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.288 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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