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51818-19-0 molecular structure
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2-methoxybenzene-1-carboximidamide hydrochloride

ChemBase ID: 54200
Molecular Formular: C8H11ClN2O
Molecular Mass: 186.63874
Monoisotopic Mass: 186.05599066
SMILES and InChIs

SMILES:
c1(c(cccc1)OC)C(=N)N.Cl
Canonical SMILES:
COc1ccccc1C(=N)N.Cl
InChI:
InChI=1S/C8H10N2O.ClH/c1-11-7-5-3-2-4-6(7)8(9)10;/h2-5H,1H3,(H3,9,10);1H
InChIKey:
UYPHFBKQVOALNA-UHFFFAOYSA-N

Cite this record

CBID:54200 http://www.chembase.cn/molecule-54200.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxybenzene-1-carboximidamide hydrochloride
IUPAC Traditional name
2-methoxybenzenecarboximidamide hydrochloride
Synonyms
2-Methoxy-benzamidine hydrochloride
CAS Number
51818-19-0
MDL Number
MFCD06738644
PubChem SID
162058963
PubChem CID
12254224

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12254224 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6776173  LogD (pH = 7.4) -1.5558225 
Log P 0.73604304  Molar Refractivity 54.1937 cm3
Polarizability 16.536684 Å3 Polar Surface Area 59.1 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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