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89943-04-4 molecular structure
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2-[(pyridin-2-yl)amino]ethan-1-ol

ChemBase ID: 177172
Molecular Formular: C7H10N2O
Molecular Mass: 138.1671
Monoisotopic Mass: 138.07931295
SMILES and InChIs

SMILES:
c1cnc(cc1)NCCO
Canonical SMILES:
OCCNc1ccccn1
InChI:
InChI=1S/C7H10N2O/c10-6-5-9-7-3-1-2-4-8-7/h1-4,10H,5-6H2,(H,8,9)
InChIKey:
UYLOQLKUWBXBBN-UHFFFAOYSA-N

Cite this record

CBID:177172 http://www.chembase.cn/molecule-177172.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(pyridin-2-yl)amino]ethan-1-ol
IUPAC Traditional name
2-(pyridin-2-ylamino)ethanol
Synonyms
2-(2-Pyridinylamino)ethanol
2-(2-Pyridylamino)ethanol
NSC 128128
N-(2-Pyridylamino)ethanol
2-(pyridin-2-ylamino)ethanol
CAS Number
89943-04-4
MDL Number
MFCD02069070
PubChem SID
164233082
PubChem CID
420844

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 420844 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.585776  H Acceptors
H Donor LogD (pH = 5.5) -0.8639187 
LogD (pH = 7.4) 0.06855855  Log P 0.13270703 
Molar Refractivity 40.7007 cm3 Polarizability 14.872105 Å3
Polar Surface Area 45.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Ethyl Acetate expand Show data source
Methanol expand Show data source
Melting Point
64 - 66°C expand Show data source
Hydrophobicity(logP)
0.352 expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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