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933750-04-0 molecular structure
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2-{2-azabicyclo[2.2.1]hept-5-en-2-yl}ethan-1-amine

ChemBase ID: 310388
Molecular Formular: C8H14N2
Molecular Mass: 138.21016
Monoisotopic Mass: 138.11569846
SMILES and InChIs

SMILES:
N1(C2C=CC(C1)C2)CCN
Canonical SMILES:
NCCN1CC2CC1C=C2
InChI:
InChI=1S/C8H14N2/c9-3-4-10-6-7-1-2-8(10)5-7/h1-2,7-8H,3-6,9H2
InChIKey:
LMMHCYXULJUMBC-UHFFFAOYSA-N

Cite this record

CBID:310388 http://www.chembase.cn/molecule-310388.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-amine
IUPAC Traditional name
2-{2-azabicyclo[2.2.1]hept-5-en-2-yl}ethanamine
Synonyms
2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine
CAS Number
933750-04-0
MDL Number
MFCD09055376

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.350458  LogD (pH = 7.4) -2.1782486 
Log P -0.011255395  Molar Refractivity 43.4527 cm3
Polarizability 16.837317 Å3 Polar Surface Area 29.26 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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