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405103-62-0 molecular structure
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6-(chloromethyl)-N,N-dimethylpyridin-2-amine

ChemBase ID: 282522
Molecular Formular: C8H11ClN2
Molecular Mass: 170.63934
Monoisotopic Mass: 170.06107604
SMILES and InChIs

SMILES:
n1c(N(C)C)cccc1CCl
Canonical SMILES:
ClCc1cccc(n1)N(C)C
InChI:
InChI=1S/C8H11ClN2/c1-11(2)8-5-3-4-7(6-9)10-8/h3-5H,6H2,1-2H3
InChIKey:
LECLZVYANMESOD-UHFFFAOYSA-N

Cite this record

CBID:282522 http://www.chembase.cn/molecule-282522.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(chloromethyl)-N,N-dimethylpyridin-2-amine
IUPAC Traditional name
6-(chloromethyl)-N,N-dimethylpyridin-2-amine
Synonyms
6-(chloromethyl)-N,N-dimethylpyridin-2-amine
CAS Number
405103-62-0
MDL Number
MFCD10697582
PubChem SID
180668053
PubChem CID
17854373

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17854373 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8037751  LogD (pH = 7.4) 2.1207216 
Log P 2.1267889  Molar Refractivity 47.9879 cm3
Polarizability 17.910572 Å3 Polar Surface Area 16.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.921 expand Show data source
Purity
95% expand Show data source
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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