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868755-52-6 molecular structure
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[6-(morpholin-4-yl)pyridin-2-yl]methanamine

ChemBase ID: 92548
Molecular Formular: C10H15N3O
Molecular Mass: 193.2456
Monoisotopic Mass: 193.12151212
SMILES and InChIs

SMILES:
O1CCN(c2nc(ccc2)CN)CC1
Canonical SMILES:
NCc1cccc(n1)N1CCOCC1
InChI:
InChI=1S/C10H15N3O/c11-8-9-2-1-3-10(12-9)13-4-6-14-7-5-13/h1-3H,4-8,11H2
InChIKey:
JRKWUCQBVPZBBP-UHFFFAOYSA-N

Cite this record

CBID:92548 http://www.chembase.cn/molecule-92548.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[6-(morpholin-4-yl)pyridin-2-yl]methanamine
IUPAC Traditional name
[6-(morpholin-4-yl)pyridin-2-yl]methanamine
Synonyms
(6-morpholinopyrid-2-yl)methylamine
(6-Morpholin-4-ylpyridin-2-yl)methylamine
2-(Aminomethyl)-6-(morpholin-4-yl)pyridine 95%
CAS Number
868755-52-6
MDL Number
MFCD08435862
PubChem SID
162079246
PubChem CID
18525737

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18525737 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.331868  LogD (pH = 7.4) -0.78357494 
Log P 0.44681466  Molar Refractivity 55.6689 cm3
Polarizability 21.261618 Å3 Polar Surface Area 51.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
136-138°C/0.5mm expand Show data source
Storage Warning
Corrosive expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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