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423768-36-9 molecular structure
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[5-(pyridin-2-yl)thiophen-2-yl]methanamine dihydrochloride

ChemBase ID: 80505
Molecular Formular: C10H12Cl2N2S
Molecular Mass: 263.18668
Monoisotopic Mass: 262.00982475
SMILES and InChIs

SMILES:
s1c(ccc1CN)c1ccccn1.Cl.Cl
Canonical SMILES:
NCc1ccc(s1)c1ccccn1.Cl.Cl
InChI:
InChI=1S/C10H10N2S.2ClH/c11-7-8-4-5-10(13-8)9-3-1-2-6-12-9;;/h1-6H,7,11H2;2*1H
InChIKey:
WGUHZRVGSBVNMY-UHFFFAOYSA-N

Cite this record

CBID:80505 http://www.chembase.cn/molecule-80505.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(pyridin-2-yl)thiophen-2-yl]methanamine dihydrochloride
IUPAC Traditional name
[5-(pyridin-2-yl)thiophen-2-yl]methanamine dihydrochloride
Synonyms
1-[5-(Pyridin-2-yl)thien-2-yl]methylamine dihydrochloride 97%
[5-(2-pyridinyl)-2-thienyl]methylamine dihydrochloride
CAS Number
423768-36-9
MDL Number
MFCD03407315
PubChem SID
162067625
PubChem CID
2776204

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2776204 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0030357  LogD (pH = 7.4) 0.46924984 
Log P 1.824005  Molar Refractivity 53.8127 cm3
Polarizability 22.443327 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
263-265°C expand Show data source
Storage Warning
Corrosive 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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