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132219-51-3 molecular structure
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1-(6-chloropyridin-3-yl)ethan-1-amine

ChemBase ID: 814895
Molecular Formular: C7H9ClN2
Molecular Mass: 156.61276
Monoisotopic Mass: 156.04542598
SMILES and InChIs

SMILES:
C(C)(N)c1cnc(cc1)Cl
Canonical SMILES:
Clc1ccc(cn1)C(N)C
InChI:
InChI=1S/C7H9ClN2/c1-5(9)6-2-3-7(8)10-4-6/h2-5H,9H2,1H3
InChIKey:
OZVNENIAEVSUDT-UHFFFAOYSA-N

Cite this record

CBID:814895 http://www.chembase.cn/molecule-814895.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(6-chloropyridin-3-yl)ethan-1-amine
IUPAC Traditional name
1-(6-chloropyridin-3-yl)ethanamine
Synonyms
1-(6-chloropyridin-3-yl)ethanamine
CAS Number
132219-51-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37130 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37130 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) -1.8500806  LogD (pH = 7.4) -0.8028352 
Log P 1.1221387  Molar Refractivity 42.6594 cm3
Polarizability 16.561203 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

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