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35980-77-9 molecular structure
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2-(morpholin-4-yl)pyridin-4-amine

ChemBase ID: 294622
Molecular Formular: C9H13N3O
Molecular Mass: 179.21902
Monoisotopic Mass: 179.10586205
SMILES and InChIs

SMILES:
Nc1cc(ncc1)N1CCOCC1
Canonical SMILES:
Nc1ccnc(c1)N1CCOCC1
InChI:
InChI=1S/C9H13N3O/c10-8-1-2-11-9(7-8)12-3-5-13-6-4-12/h1-2,7H,3-6H2,(H2,10,11)
InChIKey:
ZSXQDGMZXKOADT-UHFFFAOYSA-N

Cite this record

CBID:294622 http://www.chembase.cn/molecule-294622.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(morpholin-4-yl)pyridin-4-amine
IUPAC Traditional name
2-(morpholin-4-yl)pyridin-4-amine
Synonyms
2-Morpholinopyridin-4-amine
2-(4-MORPHOLINYL)-4-PYRIDINYLAMINE
CAS Number
35980-77-9
MDL Number
MFCD02945666
PubChem SID
180680153
PubChem CID
23818810

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23818810 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0789045  LogD (pH = 7.4) -1.0126927 
Log P 0.41064838  Molar Refractivity 52.4181 cm3
Polarizability 19.040474 Å3 Polar Surface Area 51.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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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