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405-67-4 molecular structure
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N-ethyl-4-fluoroaniline

ChemBase ID: 57391
Molecular Formular: C8H10FN
Molecular Mass: 139.1701032
Monoisotopic Mass: 139.07972755
SMILES and InChIs

SMILES:
c1cc(ccc1NCC)F
Canonical SMILES:
CCNc1ccc(cc1)F
InChI:
InChI=1S/C8H10FN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
InChIKey:
MBSPOYRKNIDVOA-UHFFFAOYSA-N

Cite this record

CBID:57391 http://www.chembase.cn/molecule-57391.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-4-fluoroaniline
IUPAC Traditional name
N-ethyl-4-fluoroaniline
Synonyms
N-Ethyl-4-fluoroaniline
N-ethyl-N-(4-fluorophenyl)amine
CAS Number
405-67-4
MDL Number
MFCD03210682
PubChem SID
162062154
PubChem CID
4962184

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4962184 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8275163  LogD (pH = 7.4) 1.9438285 
Log P 1.9455339  Molar Refractivity 41.2168 cm3
Polarizability 14.802314 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
210 - 215°C expand Show data source
Hydrophobicity(logP)
2.615 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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