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40403-45-0 molecular structure
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2-chloro-N,N'-bis(4-ethoxyphenyl)ethanimidamide

ChemBase ID: 232286
Molecular Formular: C18H21ClN2O2
Molecular Mass: 332.82454
Monoisotopic Mass: 332.1291556
SMILES and InChIs

SMILES:
C(=N\c1ccc(cc1)OCC)(\Nc1ccc(cc1)OCC)/CCl
Canonical SMILES:
CCOc1ccc(cc1)N/C(=N\c1ccc(cc1)OCC)/CCl
InChI:
InChI=1S/C18H21ClN2O2/c1-3-22-16-9-5-14(6-10-16)20-18(13-19)21-15-7-11-17(12-8-15)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChIKey:
HUIGMZIAORXHGI-UHFFFAOYSA-N

Cite this record

CBID:232286 http://www.chembase.cn/molecule-232286.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N,N'-bis(4-ethoxyphenyl)ethanimidamide
IUPAC Traditional name
2-chloro-N,N'-bis(4-ethoxyphenyl)ethanimidamide
Synonyms
2-Chloro-N,N'-bis-(4-ethoxy-phenyl)-acetamidine
CAS Number
40403-45-0
MDL Number
MFCD04621548
PubChem SID
164288196
PubChem CID
2393648

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-06504 external link Add to cart Please log in.
Data Source Data ID
PubChem 2393648 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.688135  LogD (pH = 7.4) 3.9379492 
Log P 4.208332  Molar Refractivity 96.8434 cm3
Polarizability 35.97995 Å3 Polar Surface Area 42.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
5.775 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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