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[(3-chloropyridin-4-yl)methyl](methyl)[1-(pyridin-3-yl)ethyl]amine

ChemBase ID: 360246
Molecular Formular: C14H16ClN3
Molecular Mass: 261.74994
Monoisotopic Mass: 261.10327521
SMILES and InChIs

SMILES:
N(Cc1c(Cl)cncc1)(C(c1cnccc1)C)C
Canonical SMILES:
CC(N(Cc1ccncc1Cl)C)c1cccnc1
InChI:
InChI=1S/C14H16ClN3/c1-11(12-4-3-6-16-8-12)18(2)10-13-5-7-17-9-14(13)15/h3-9,11H,10H2,1-2H3
InChIKey:
ZAKSZUQRJHHKCY-UHFFFAOYSA-N

Cite this record

CBID:360246 http://www.chembase.cn/molecule-360246.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3-chloropyridin-4-yl)methyl](methyl)[1-(pyridin-3-yl)ethyl]amine
IUPAC Traditional name
[(3-chloropyridin-4-yl)methyl](methyl)[1-(pyridin-3-yl)ethyl]amine
Synonyms
N-[(3-chloropyridin-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 16781830 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.87564903  LogD (pH = 7.4) 2.1206212 
Log P 2.2243905  Molar Refractivity 74.1231 cm3
Polarizability 28.892958 Å3 Polar Surface Area 29.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.05  LOG S -0.55 
Polar Surface Area 29.02 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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