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157763-35-4 molecular structure
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2-(6-chloropyridin-3-yl)propan-2-amine

ChemBase ID: 814902
Molecular Formular: C8H11ClN2
Molecular Mass: 170.63934
Monoisotopic Mass: 170.06107604
SMILES and InChIs

SMILES:
CC(C)(N)c1cnc(cc1)Cl
Canonical SMILES:
Clc1ccc(cn1)C(N)(C)C
InChI:
InChI=1S/C8H11ClN2/c1-8(2,10)6-3-4-7(9)11-5-6/h3-5H,10H2,1-2H3
InChIKey:
LEUKIRSZLUMFGP-UHFFFAOYSA-N

Cite this record

CBID:814902 http://www.chembase.cn/molecule-814902.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(6-chloropyridin-3-yl)propan-2-amine
IUPAC Traditional name
2-(6-chloropyridin-3-yl)propan-2-amine
Synonyms
2-(6-chloropyridin-3-yl)propan-2-amine
CAS Number
157763-35-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37139 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37139 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) -1.5942538  LogD (pH = 7.4) -0.73546404 
Log P 1.4027153  Molar Refractivity 47.2976 cm3
Polarizability 18.400797 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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