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915923-64-7 molecular structure
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2-{2-azabicyclo[2.2.1]hept-5-en-2-yl}ethan-1-ol

ChemBase ID: 306654
Molecular Formular: C8H13NO
Molecular Mass: 139.19492
Monoisotopic Mass: 139.09971404
SMILES and InChIs

SMILES:
N1(C2C=CC(C1)C2)CCO
Canonical SMILES:
OCCN1CC2CC1C=C2
InChI:
InChI=1S/C8H13NO/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-8,10H,3-6H2
InChIKey:
DDVSPRKOBLRZAK-UHFFFAOYSA-N

Cite this record

CBID:306654 http://www.chembase.cn/molecule-306654.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2-azabicyclo[2.2.1]hept-5-en-2-yl}ethan-1-ol
IUPAC Traditional name
2-{2-azabicyclo[2.2.1]hept-5-en-2-yl}ethanol
Synonyms
2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol
CAS Number
915923-64-7
MDL Number
MFCD08059739

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4003039 external link Add to cart
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) -2.9952435  LogD (pH = 7.4) -1.3218862 
Log P 0.0956264  Molar Refractivity 41.7952 cm3
Polarizability 15.910935 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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