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915920-45-5 molecular structure
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3-{2-azabicyclo[2.2.1]hept-5-en-2-yl}propan-1-amine

ChemBase ID: 310375
Molecular Formular: C9H16N2
Molecular Mass: 152.23674
Monoisotopic Mass: 152.13134852
SMILES and InChIs

SMILES:
N1(C2C=CC(C1)C2)CCCN
Canonical SMILES:
NCCCN1CC2CC1C=C2
InChI:
InChI=1S/C9H16N2/c10-4-1-5-11-7-8-2-3-9(11)6-8/h2-3,8-9H,1,4-7,10H2
InChIKey:
CWOKESWBVNYYBX-UHFFFAOYSA-N

Cite this record

CBID:310375 http://www.chembase.cn/molecule-310375.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{2-azabicyclo[2.2.1]hept-5-en-2-yl}propan-1-amine
IUPAC Traditional name
3-{2-azabicyclo[2.2.1]hept-5-en-2-yl}propan-1-amine
Synonyms
3-(2-azabicyclo[2.2.1]hept-5-en-2-yl)propan-1-amine
CAS Number
915920-45-5
MDL Number
MFCD08752998

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.74306  LogD (pH = 7.4) -3.557389 
Log P 0.048704345  Molar Refractivity 48.3181 cm3
Polarizability 18.68366 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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