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138617-50-2 molecular structure
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(2R,6R)-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine

ChemBase ID: 310381
Molecular Formular: C11H17N
Molecular Mass: 163.25938
Monoisotopic Mass: 163.13609955
SMILES and InChIs

SMILES:
N1[C@@H](C=CC[C@H]1CC=C)CC=C
Canonical SMILES:
C=CC[C@@H]1CC=C[C@H](N1)CC=C
InChI:
InChI=1S/C11H17N/c1-3-6-10-8-5-9-11(12-10)7-4-2/h3-5,8,10-12H,1-2,6-7,9H2/t10-,11-/m1/s1
InChIKey:
GAYQJEALDMVJON-GHMZBOCLSA-N

Cite this record

CBID:310381 http://www.chembase.cn/molecule-310381.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,6R)-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine
IUPAC Traditional name
(2R,6R)-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine
Synonyms
rac-(2R,6R)-2,6-diallyl-1,2,3,6-tetrahydropyridine
CAS Number
138617-50-2
MDL Number
MFCD00464919

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) -0.61533517  LogD (pH = 7.4) -0.034719177 
Log P 2.6108296  Molar Refractivity 54.9738 cm3
Polarizability 21.143099 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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