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1196156-97-4 molecular structure
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2-(4,5-dichloropyridin-2-yl)ethan-1-amine

ChemBase ID: 814423
Molecular Formular: C7H8Cl2N2
Molecular Mass: 191.05782
Monoisotopic Mass: 190.00645363
SMILES and InChIs

SMILES:
C(Cc1ncc(c(c1)Cl)Cl)N
Canonical SMILES:
NCCc1cc(Cl)c(cn1)Cl
InChI:
InChI=1S/C7H8Cl2N2/c8-6-3-5(1-2-10)11-4-7(6)9/h3-4H,1-2,10H2
InChIKey:
XQFDCRSLGXDVDV-UHFFFAOYSA-N

Cite this record

CBID:814423 http://www.chembase.cn/molecule-814423.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4,5-dichloropyridin-2-yl)ethan-1-amine
IUPAC Traditional name
2-(4,5-dichloropyridin-2-yl)ethanamine
Synonyms
2-(4,5-dichloropyridin-2-yl)ethanamine
CAS Number
1196156-97-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36588 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36588 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5874349  LogD (pH = 7.4) -0.71273726 
Log P 1.4079158  Molar Refractivity 46.1613 cm3
Polarizability 18.379536 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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