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748187-76-0 molecular structure
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[(2-chloropyridin-4-yl)methyl](methyl)amine

ChemBase ID: 75866
Molecular Formular: C7H9ClN2
Molecular Mass: 156.61276
Monoisotopic Mass: 156.04542598
SMILES and InChIs

SMILES:
n1c(cc(cc1)CNC)Cl
Canonical SMILES:
CNCc1ccnc(c1)Cl
InChI:
InChI=1S/C7H9ClN2/c1-9-5-6-2-3-10-7(8)4-6/h2-4,9H,5H2,1H3
InChIKey:
NIBLXLUVASMQFM-UHFFFAOYSA-N

Cite this record

CBID:75866 http://www.chembase.cn/molecule-75866.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-chloropyridin-4-yl)methyl](methyl)amine
IUPAC Traditional name
[(2-chloropyridin-4-yl)methyl](methyl)amine
Synonyms
N-[(2-chloropyridin-4-yl)methyl]-N-methylamine
N-[(2-Chloropyridin-4-yl)methyl]-N-methylamine
2-Chloro-4-[(methylamino)methyl]pyridine 97%
CAS Number
748187-76-0
MDL Number
MFCD06654462
PubChem SID
162040784
PubChem CID
2794168

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2794168 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9667747  LogD (pH = 7.4) -0.6267264 
Log P 1.138144  Molar Refractivity 43.0152 cm3
Polarizability 16.5619 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Corrosive expand Show data source
Purity
97% 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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