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162104732 molecular structure
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methyl[2-(pyridin-4-yl)ethyl]amine hydrochloride

ChemBase ID: 90192
Molecular Formular: C8H13ClN2
Molecular Mass: 172.65522
Monoisotopic Mass: 172.07672611
SMILES and InChIs

SMILES:
n1ccc(cc1)CCNC.Cl
Canonical SMILES:
CNCCc1ccncc1.Cl
InChI:
InChI=1S/C8H12N2.ClH/c1-9-5-2-8-3-6-10-7-4-8;/h3-4,6-7,9H,2,5H2,1H3;1H
InChIKey:
MGTSFMKKQHQDRZ-UHFFFAOYSA-N

Cite this record

CBID:90192 http://www.chembase.cn/molecule-90192.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[2-(pyridin-4-yl)ethyl]amine hydrochloride
IUPAC Traditional name
methyl[2-(pyridin-4-yl)ethyl]amine hydrochloride
Synonyms
4-[2-(Methylamino)ethyl]pyridine hydrochloride
PubChem SID
162104732
PubChem CID
44119600

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 44119600 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8253207  LogD (pH = 7.4) -1.894605 
Log P 0.6025834  Molar Refractivity 41.9041 cm3
Polarizability 16.418547 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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