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67386-38-3 molecular structure
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2-phenoxyethanimidamide hydrochloride

ChemBase ID: 86626
Molecular Formular: C8H11ClN2O
Molecular Mass: 186.63874
Monoisotopic Mass: 186.05599066
SMILES and InChIs

SMILES:
N=C(COc1ccccc1)N.Cl
Canonical SMILES:
NC(=N)COc1ccccc1.Cl
InChI:
InChI=1S/C8H10N2O.ClH/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H
InChIKey:
ZLZLLGGMCNVVAS-UHFFFAOYSA-N

Cite this record

CBID:86626 http://www.chembase.cn/molecule-86626.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenoxyethanimidamide hydrochloride
IUPAC Traditional name
2-phenoxyethanimidamide hydrochloride
Synonyms
2-phenoxyethanimidamide hydrochloride dihydrate
2-Phenoxyethanimidamide hydrochloride
CAS Number
67386-38-3
MDL Number
MFCD06659092
MFCD00173806
PubChem SID
162073742
PubChem CID
2745912

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2745912 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8514518  LogD (pH = 7.4) -1.4809562 
Log P 0.55644345  Molar Refractivity 53.0221 cm3
Polarizability 16.548054 Å3 Polar Surface Area 59.1 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
114 - 116°C expand Show data source
Hydrophobicity(logP)
0.481 expand Show data source
Storage Warning
Irritant expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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