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MFCD09055414 molecular structure
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2-(2-chloroethyl)-2-azabicyclo[2.2.1]heptane

ChemBase ID: 310548
Molecular Formular: C8H14ClN
Molecular Mass: 159.65646
Monoisotopic Mass: 159.08147713
SMILES and InChIs

SMILES:
N1(C2CC(C1)CC2)CCCl
Canonical SMILES:
ClCCN1CC2CC1CC2
InChI:
InChI=1S/C8H14ClN/c9-3-4-10-6-7-1-2-8(10)5-7/h7-8H,1-6H2
InChIKey:
WTFWACGSIFBKPP-UHFFFAOYSA-N

Cite this record

CBID:310548 http://www.chembase.cn/molecule-310548.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-chloroethyl)-2-azabicyclo[2.2.1]heptane
IUPAC Traditional name
2-(2-chloroethyl)-2-azabicyclo[2.2.1]heptane
Synonyms
2-(2-chloroethyl)-2-azabicyclo[2.2.1]heptane
MDL Number
MFCD09055414

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) -1.4284714  LogD (pH = 7.4) 0.24830076 
Log P 1.6562325  Molar Refractivity 43.8836 cm3
Polarizability 17.349901 Å3 Polar Surface Area 3.24 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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