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58125-01-2 molecular structure
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2-(4-methoxyphenyl)ethanimidamide

ChemBase ID: 307228
Molecular Formular: C9H12N2O
Molecular Mass: 164.20438
Monoisotopic Mass: 164.09496301
SMILES and InChIs

SMILES:
C(=N)(Cc1ccc(cc1)OC)N
Canonical SMILES:
COc1ccc(cc1)CC(=N)N
InChI:
InChI=1S/C9H12N2O/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)
InChIKey:
BHZLRLGEHGWOED-UHFFFAOYSA-N

Cite this record

CBID:307228 http://www.chembase.cn/molecule-307228.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methoxyphenyl)ethanimidamide
IUPAC Traditional name
2-(4-methoxyphenyl)ethanimidamide
Synonyms
2-(4-methoxyphenyl)ethanimidamide
CAS Number
58125-01-2
MDL Number
MFCD01552153

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6992332  LogD (pH = 7.4) -1.697883 
Log P 0.7162084  Molar Refractivity 58.2451 cm3
Polarizability 18.387043 Å3 Polar Surface Area 59.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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