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116585-72-9 molecular structure
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2-{2-azabicyclo[2.2.1]heptan-2-yl}ethan-1-ol

ChemBase ID: 306655
Molecular Formular: C8H15NO
Molecular Mass: 141.2108
Monoisotopic Mass: 141.11536411
SMILES and InChIs

SMILES:
N1(C2CC(C1)CC2)CCO
Canonical SMILES:
OCCN1CC2CC1CC2
InChI:
InChI=1S/C8H15NO/c10-4-3-9-6-7-1-2-8(9)5-7/h7-8,10H,1-6H2
InChIKey:
MZMQCWWTXDQALT-UHFFFAOYSA-N

Cite this record

CBID:306655 http://www.chembase.cn/molecule-306655.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2-azabicyclo[2.2.1]heptan-2-yl}ethan-1-ol
IUPAC Traditional name
2-{2-azabicyclo[2.2.1]heptan-2-yl}ethanol
Synonyms
2-(2-azabicyclo[2.2.1]hept-2-yl)ethanol
CAS Number
116585-72-9
MDL Number
MFCD08059740

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1395085  LogD (pH = 7.4) -2.0933492 
Log P 0.3016406  Molar Refractivity 40.8326 cm3
Polarizability 16.15159 Å3 Polar Surface Area 23.47 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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