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928034-30-4 molecular structure
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8-benzyl-1,8-diazaspiro[4.5]decane

ChemBase ID: 799733
Molecular Formular: C15H22N2
Molecular Mass: 230.34858
Monoisotopic Mass: 230.17829871
SMILES and InChIs

SMILES:
N1CCCC21CCN(CC2)Cc1ccccc1
Canonical SMILES:
c1ccc(cc1)CN1CCC2(CC1)CCCN2
InChI:
InChI=1S/C15H22N2/c1-2-5-14(6-3-1)13-17-11-8-15(9-12-17)7-4-10-16-15/h1-3,5-6,16H,4,7-13H2
InChIKey:
SFMBBIDDGLYJEU-UHFFFAOYSA-N

Cite this record

CBID:799733 http://www.chembase.cn/molecule-799733.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-benzyl-1,8-diazaspiro[4.5]decane
IUPAC Traditional name
8-benzyl-1,8-diazaspiro[4.5]decane
Synonyms
8-benzyl-1,8-diazaspiro[4.5]decane
CAS Number
928034-30-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14730 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14730 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8771842  LogD (pH = 7.4) -1.4566005 
Log P 1.887967  Molar Refractivity 72.1877 cm3
Polarizability 28.551031 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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