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59104-19-7 molecular structure
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2-(4-chlorophenoxy)ethanimidamide hydrochloride

ChemBase ID: 73922
Molecular Formular: C8H10Cl2N2O
Molecular Mass: 221.0838
Monoisotopic Mass: 220.01701831
SMILES and InChIs

SMILES:
O(c1ccc(cc1)Cl)CC(=N)N.Cl
Canonical SMILES:
NC(=N)COc1ccc(cc1)Cl.Cl
InChI:
InChI=1S/C8H9ClN2O.ClH/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKey:
BNKARSAFQJBQPH-UHFFFAOYSA-N

Cite this record

CBID:73922 http://www.chembase.cn/molecule-73922.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-chlorophenoxy)ethanimidamide hydrochloride
IUPAC Traditional name
2-(4-chlorophenoxy)ethanimidamide hydrochloride
Synonyms
2-(4-Chlorophenoxy)acetamidine hydrochloride
CAS Number
59104-19-7
MDL Number
MFCD00464961
PubChem SID
162038841
PubChem CID
13430824

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 13430824 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2474071  LogD (pH = 7.4) -0.87691134 
Log P 1.1604881  Molar Refractivity 57.8269 cm3
Polarizability 18.429623 Å3 Polar Surface Area 59.1 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
185-187°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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