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405103-66-4 molecular structure
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4-[6-(chloromethyl)pyridin-2-yl]morpholine

ChemBase ID: 802148
Molecular Formular: C10H13ClN2O
Molecular Mass: 212.67602
Monoisotopic Mass: 212.07164073
SMILES and InChIs

SMILES:
C1COCCN1c1nc(ccc1)CCl
Canonical SMILES:
ClCc1cccc(n1)N1CCOCC1
InChI:
InChI=1S/C10H13ClN2O/c11-8-9-2-1-3-10(12-9)13-4-6-14-7-5-13/h1-3H,4-8H2
InChIKey:
VRKYPIKWYDXMAL-UHFFFAOYSA-N

Cite this record

CBID:802148 http://www.chembase.cn/molecule-802148.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[6-(chloromethyl)pyridin-2-yl]morpholine
IUPAC Traditional name
4-[6-(chloromethyl)pyridin-2-yl]morpholine
Synonyms
4-[6-(CHLOROMETHYL)PYRIDIN-2-YL]MORPHOLINE
CAS Number
405103-66-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18550 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18550 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) 1.6426148  LogD (pH = 7.4) 1.9036572 
Log P 1.9082884  Molar Refractivity 57.0624 cm3
Polarizability 21.578337 Å3 Polar Surface Area 25.36 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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