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52023-68-4 molecular structure
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6-(morpholin-4-yl)pyridin-3-amine

ChemBase ID: 40098
Molecular Formular: C9H13N3O
Molecular Mass: 179.21902
Monoisotopic Mass: 179.10586205
SMILES and InChIs

SMILES:
c1(N2CCOCC2)ncc(N)cc1
Canonical SMILES:
Nc1ccc(nc1)N1CCOCC1
InChI:
InChI=1S/C9H13N3O/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h1-2,7H,3-6,10H2
InChIKey:
VVTSPTCBHTWXMD-UHFFFAOYSA-N

Cite this record

CBID:40098 http://www.chembase.cn/molecule-40098.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(morpholin-4-yl)pyridin-3-amine
IUPAC Traditional name
6-(morpholin-4-yl)pyridin-3-amine
Synonyms
6-Morpholino-3-pyridinamine
6-morpholinopyridin-3-amine
6-(4-morpholinyl)-3-pyridinamine
6-(4-Morpholinyl)-3-pyridinamine
5-Amino-2-(4-morpholinyl)pyridine
3-AMINO-6-MORPHOLINOPYRIDINE
6-morpholin-4-ylpyridin-3-amine
6-(Morpholin-4-yl)pyridin-3-amine
5-Amino-2-(morpholin-4-yl)pyridine
5-氨基-2-(4-吗啉基)吡啶
CAS Number
52023-68-4
EC Number
257-613-3
MDL Number
MFCD00119562
PubChem SID
162044861
PubChem CID
104059

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7143525  LogD (pH = 7.4) 0.3096537 
Log P 0.41064838  Molar Refractivity 52.4181 cm3
Polarizability 19.043875 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)
Melting Point
124 - 126°C expand Show data source
126-128°C expand Show data source
127-130°C expand Show data source
128 - 130 °C expand Show data source
128-130°C expand Show data source
Hydrophobicity(logP)
0.687 expand Show data source
Storage Condition
Store under N2 expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic/Harmful expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
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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