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22353-34-0 molecular structure
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5-chloropyridin-3-amine

ChemBase ID: 66719
Molecular Formular: C5H5ClN2
Molecular Mass: 128.5596
Monoisotopic Mass: 128.01412585
SMILES and InChIs

SMILES:
c1c(cc(cn1)Cl)N
Canonical SMILES:
Nc1cncc(c1)Cl
InChI:
InChI=1S/C5H5ClN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
InChIKey:
ZHMASVAJFJFFLS-UHFFFAOYSA-N

Cite this record

CBID:66719 http://www.chembase.cn/molecule-66719.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloropyridin-3-amine
IUPAC Traditional name
5-chloropyridin-3-amine
Synonyms
3-Amino-5-chloropyridine
5-Chloropyridin-3-amine
5-Chloro-3-pyridinamine
3-Amino-5-chloropyridine
3-氨基-5-氯吡啶
CAS Number
22353-34-0
MDL Number
MFCD03701386
PubChem SID
162032455
PubChem CID
818257

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5223301  LogD (pH = 7.4) 0.5305856 
Log P 0.5306921  Molar Refractivity 33.4063 cm3
Polarizability 12.473763 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
71-75°C expand Show data source
71-75°C expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H312-H332-H315-H319-H335 expand Show data source
GHS Precautionary statements
P280H-P305+P351+P338 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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