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1030422-66-2 molecular structure
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1-methyl-1H-indole-4-carboximidamide hydrochloride

ChemBase ID: 55070
Molecular Formular: C10H12ClN3
Molecular Mass: 209.67538
Monoisotopic Mass: 209.07197508
SMILES and InChIs

SMILES:
c1ccc2c(c1C(=N)N)ccn2C.Cl
Canonical SMILES:
NC(=N)c1cccc2c1ccn2C.Cl
InChI:
InChI=1S/C10H11N3.ClH/c1-13-6-5-7-8(10(11)12)3-2-4-9(7)13;/h2-6H,1H3,(H3,11,12);1H
InChIKey:
OYEOJLYEUBSNJT-UHFFFAOYSA-N

Cite this record

CBID:55070 http://www.chembase.cn/molecule-55070.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1H-indole-4-carboximidamide hydrochloride
IUPAC Traditional name
1-methylindole-4-carboximidamide hydrochloride
Synonyms
1-Methyl-1H-indole-4-carboximidamide hydrochloride
CAS Number
1030422-66-2
MDL Number
MFCD17480342
PubChem SID
162059833
PubChem CID
50999460

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 50999460 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1990981  LogD (pH = 7.4) -1.1830593 
Log P 1.2161523  Molar Refractivity 63.7137 cm3
Polarizability 21.032183 Å3 Polar Surface Area 54.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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