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6671-85-8 molecular structure
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2-azabicyclo[2.2.1]hept-5-ene

ChemBase ID: 310373
Molecular Formular: C6H9N
Molecular Mass: 95.14236
Monoisotopic Mass: 95.07349929
SMILES and InChIs

SMILES:
N1C2C=CC(C1)C2
Canonical SMILES:
N1CC2CC1C=C2
InChI:
InChI=1S/C6H9N/c1-2-6-3-5(1)4-7-6/h1-2,5-7H,3-4H2
InChIKey:
KPFWYFYRULFDQP-UHFFFAOYSA-N

Cite this record

CBID:310373 http://www.chembase.cn/molecule-310373.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-azabicyclo[2.2.1]hept-5-ene
IUPAC Traditional name
2-azabicyclo[2.2.1]hept-5-ene
Synonyms
2-azabicyclo[2.2.1]hept-5-ene
CAS Number
6671-85-8
MDL Number
MFCD05864541

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) -2.8282862  LogD (pH = 7.4) -2.3556798 
Log P 0.4026805  Molar Refractivity 30.2082 cm3
Polarizability 11.62445 Å3 Polar Surface Area 12.03 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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