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1159824-37-9 molecular structure
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5,8-diazaspiro[3.5]nonane dihydrochloride

ChemBase ID: 810267
Molecular Formular: C7H16Cl2N2
Molecular Mass: 199.12134
Monoisotopic Mass: 198.06905388
SMILES and InChIs

SMILES:
Cl.Cl.C1CCC21NCCNC2
Canonical SMILES:
C1CNC2(CN1)CCC2.Cl.Cl
InChI:
InChI=1S/C7H14N2.2ClH/c1-2-7(3-1)6-8-4-5-9-7;;/h8-9H,1-6H2;2*1H
InChIKey:
ZPIFZUKPOVZOCR-UHFFFAOYSA-N

Cite this record

CBID:810267 http://www.chembase.cn/molecule-810267.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,8-diazaspiro[3.5]nonane dihydrochloride
IUPAC Traditional name
5,8-diazaspiro[3.5]nonane dihydrochloride
Synonyms
5,8-DIAZA-SPIRO[3.5]NONANE DIHYDROCHLORIDE
CAS Number
1159824-37-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O28611 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O28611 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) -3.3211033  LogD (pH = 7.4) -2.1267705 
Log P 0.10509509  Molar Refractivity 37.1506 cm3
Polarizability 15.227027 Å3 Polar Surface Area 24.06 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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