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744193-07-5 molecular structure
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1,5-dimethyl-1H-pyrrole-2-carboximidamide hydrochloride

ChemBase ID: 51809
Molecular Formular: C7H12ClN3
Molecular Mass: 173.64328
Monoisotopic Mass: 173.07197508
SMILES and InChIs

SMILES:
c1(n(c(cc1)C)C)C(=N)N.Cl
Canonical SMILES:
Cn1c(ccc1C)C(=N)N.Cl
InChI:
InChI=1S/C7H11N3.ClH/c1-5-3-4-6(7(8)9)10(5)2;/h3-4H,1-2H3,(H3,8,9);1H
InChIKey:
IHKSICQKAWQZNT-UHFFFAOYSA-N

Cite this record

CBID:51809 http://www.chembase.cn/molecule-51809.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,5-dimethyl-1H-pyrrole-2-carboximidamide hydrochloride
IUPAC Traditional name
1,5-dimethylpyrrole-2-carboximidamide hydrochloride
Synonyms
1,5-Dimethyl-1H-pyrrole-2-carboximidamide hydrochloride
CAS Number
744193-07-5
MDL Number
MFCD11052487
PubChem SID
162056572
PubChem CID
17972830

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17972830 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0986142  LogD (pH = 7.4) -2.098007 
Log P 0.31683692  Molar Refractivity 52.4132 cm3
Polarizability 15.251039 Å3 Polar Surface Area 54.8 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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