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849776-32-5 molecular structure
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4-(pyridin-2-yl)piperazine-1-carboximidamide hydroiodide

ChemBase ID: 77394
Molecular Formular: C10H16IN5
Molecular Mass: 333.17201
Monoisotopic Mass: 333.04504354
SMILES and InChIs

SMILES:
N1(c2ncccc2)CCN(CC1)C(=N)N.I
Canonical SMILES:
NC(=N)N1CCN(CC1)c1ccccn1.I
InChI:
InChI=1S/C10H15N5.HI/c11-10(12)15-7-5-14(6-8-15)9-3-1-2-4-13-9;/h1-4H,5-8H2,(H3,11,12);1H
InChIKey:
HCOLFNZFEHSASI-UHFFFAOYSA-N

Cite this record

CBID:77394 http://www.chembase.cn/molecule-77394.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(pyridin-2-yl)piperazine-1-carboximidamide hydroiodide
IUPAC Traditional name
4-(pyridin-2-yl)piperazine-1-carboximidamide hydroiodide
Synonyms
4-(Pyridin-2-yl)piperazine-1-carboximidamide hydroiodide
4-pyridin-2-ylpiperazine-1-carboximidamide hydroiodide
CAS Number
849776-32-5
MDL Number
MFCD06797506
PubChem SID
162042267
PubChem CID
18525926

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18525926 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3006542  LogD (pH = 7.4) -2.0011923 
Log P 0.41777134  Molar Refractivity 70.6333 cm3
Polarizability 22.05019 Å3 Polar Surface Area 69.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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