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42899-94-5 molecular structure
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3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]

ChemBase ID: 795974
Molecular Formular: C14H19N
Molecular Mass: 201.30736
Monoisotopic Mass: 201.15174961
SMILES and InChIs

SMILES:
C12(CCCCC1)CCc1c(cccc1)N2
Canonical SMILES:
C1CCC2(CC1)CCc1c(N2)cccc1
InChI:
InChI=1S/C14H19N/c1-4-9-14(10-5-1)11-8-12-6-2-3-7-13(12)15-14/h2-3,6-7,15H,1,4-5,8-11H2
InChIKey:
JEJQRVJSXXFLEO-UHFFFAOYSA-N

Cite this record

CBID:795974 http://www.chembase.cn/molecule-795974.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]
IUPAC Traditional name
3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]
Synonyms
3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]
CAS Number
42899-94-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1184 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5667322  LogD (pH = 7.4) 3.6523118 
Log P 3.6535203  Molar Refractivity 65.0662 cm3
Polarizability 24.704226 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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