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1060809-13-3 molecular structure
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3-(4-chloropyridin-2-yl)propan-1-amine

ChemBase ID: 815144
Molecular Formular: C8H11ClN2
Molecular Mass: 170.63934
Monoisotopic Mass: 170.06107604
SMILES and InChIs

SMILES:
C(CCc1nccc(c1)Cl)N
Canonical SMILES:
NCCCc1cc(Cl)ccn1
InChI:
InChI=1S/C8H11ClN2/c9-7-3-5-11-8(6-7)2-1-4-10/h3,5-6H,1-2,4,10H2
InChIKey:
UPHQTDUFAHKFBG-UHFFFAOYSA-N

Cite this record

CBID:815144 http://www.chembase.cn/molecule-815144.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-chloropyridin-2-yl)propan-1-amine
IUPAC Traditional name
3-(4-chloropyridin-2-yl)propan-1-amine
Synonyms
3-(4-chloropyridin-2-yl)propan-1-amine
CAS Number
1060809-13-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37404 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37404 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) -1.9285382  LogD (pH = 7.4) -1.4038198 
Log P 1.0925323  Molar Refractivity 46.1115 cm3
Polarizability 18.269327 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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