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23255-20-1 molecular structure
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pyridine-3-carboximidamide hydrochloride

ChemBase ID: 54278
Molecular Formular: C6H8ClN3
Molecular Mass: 157.60082
Monoisotopic Mass: 157.04067495
SMILES and InChIs

SMILES:
n1cc(ccc1)C(=N)N.Cl
Canonical SMILES:
NC(=N)c1cccnc1.Cl
InChI:
InChI=1S/C6H7N3.ClH/c7-6(8)5-2-1-3-9-4-5;/h1-4H,(H3,7,8);1H
InChIKey:
MKJPBOVLAZADQJ-UHFFFAOYSA-N

Cite this record

CBID:54278 http://www.chembase.cn/molecule-54278.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridine-3-carboximidamide hydrochloride
IUPAC Traditional name
pyridine-3-carboximidamide hydrochloride
Synonyms
Nicotinamidine hydrochloride
pyridine-3-carboxamidine hydrochloride 0.5 hydrate
nicotinimidamide hydrochloride
pyridine-3-carboximidamide hydrochloride
Pyridine-3-carboximidamide hydrochloride
3-Amidinopyridine hydrochloride
3-Amidinopyridine hydrochloride
3-氨基吡啶 盐酸盐
CAS Number
23255-20-1
63265-42-9
7356-60-7
MDL Number
MFCD00054326
PubChem SID
162059041
PubChem CID
202042

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7368488  LogD (pH = 7.4) -2.5719368 
Log P -0.32395813  Molar Refractivity 45.5736 cm3
Polarizability 13.120177 Å3 Polar Surface Area 62.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
187-189°C expand Show data source
188 - 190°C expand Show data source
Hydrophobicity(logP)
-0.327 expand Show data source
Storage Warning
Hygroscopic expand Show data source
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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