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6437-40-7 molecular structure
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2-(4-fluorophenyl)ethanimidamide hydrochloride

ChemBase ID: 98564
Molecular Formular: C8H10ClFN2
Molecular Mass: 188.6298032
Monoisotopic Mass: 188.05165423
SMILES and InChIs

SMILES:
N=C(Cc1ccc(cc1)F)N.Cl
Canonical SMILES:
NC(=N)Cc1ccc(cc1)F.Cl
InChI:
InChI=1S/C8H9FN2.ClH/c9-7-3-1-6(2-4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKey:
JFOGGGJTYUPBED-UHFFFAOYSA-N

Cite this record

CBID:98564 http://www.chembase.cn/molecule-98564.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-fluorophenyl)ethanimidamide hydrochloride
IUPAC Traditional name
2-(4-fluorophenyl)ethanimidamide hydrochloride
Synonyms
2-(4-Fluorophenyl)ethanimidamide hydrochloride
2-(4-Fluorophenyl)acetamidine hydrochloride
2-(4-fluorophenyl)ethanimidamide hydrochloride
CAS Number
6437-40-7
MDL Number
MFCD06761715
PubChem SID
162084970
PubChem CID
17221602

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17221602 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3988588  LogD (pH = 7.4) -1.3974185 
Log P 1.0165817  Molar Refractivity 51.9983 cm3
Polarizability 15.533991 Å3 Polar Surface Area 49.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
132 - 134°C expand Show data source
Hydrophobicity(logP)
0.647 expand Show data source
Storage Warning
Irritant 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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