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144650-01-1 molecular structure
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2,3-dimethoxybenzene-1-carboximidamide hydrochloride

ChemBase ID: 797883
Molecular Formular: C9H13ClN2O2
Molecular Mass: 216.66472
Monoisotopic Mass: 216.06655535
SMILES and InChIs

SMILES:
Cl.c1(c(c(ccc1)OC)OC)C(=N)N
Canonical SMILES:
COc1cccc(c1OC)C(=N)N.Cl
InChI:
InChI=1S/C9H12N2O2.ClH/c1-12-7-5-3-4-6(9(10)11)8(7)13-2;/h3-5H,1-2H3,(H3,10,11);1H
InChIKey:
WTCNNTIVPPDMOW-UHFFFAOYSA-N

Cite this record

CBID:797883 http://www.chembase.cn/molecule-797883.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dimethoxybenzene-1-carboximidamide hydrochloride
IUPAC Traditional name
2,3-dimethoxybenzenecarboximidamide hydrochloride
Synonyms
2,3-Dimethoxy-benzamidine hydrochloride
2,3-DIMETHOXY-BENZAMIDINE HCL
CAS Number
144650-01-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8334587  LogD (pH = 7.4) -1.615743 
Log P 0.57837176  Molar Refractivity 60.6569 cm3
Polarizability 19.063875 Å3 Polar Surface Area 68.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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