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4080-95-9 molecular structure
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nonanedihydrazide

ChemBase ID: 92475
Molecular Formular: C9H20N4O2
Molecular Mass: 216.2807
Monoisotopic Mass: 216.1586259
SMILES and InChIs

SMILES:
NNC(=O)CCCCCCCC(=O)NN
Canonical SMILES:
NNC(=O)CCCCCCCC(=O)NN
InChI:
InChI=1S/C9H20N4O2/c10-12-8(14)6-4-2-1-3-5-7-9(15)13-11/h1-7,10-11H2,(H,12,14)(H,13,15)
InChIKey:
ZWLFGLCGZUVIEA-UHFFFAOYSA-N

Cite this record

CBID:92475 http://www.chembase.cn/molecule-92475.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nonanedihydrazide
IUPAC Traditional name
nonanedihydrazide
Synonyms
Azelaic dihydrazide
Nonanedihydrazide 97%
CAS Number
4080-95-9
MDL Number
MFCD00051529
PubChem SID
162079173
PubChem CID
77699

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR9119 external link Add to cart Please log in.
Data Source Data ID
PubChem 77699 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.693904  H Acceptors
H Donor LogD (pH = 5.5) -0.3875832 
LogD (pH = 7.4) -0.3825428  Log P -0.38247627 
Molar Refractivity 59.1546 cm3 Polarizability 22.60957 Å3
Polar Surface Area 110.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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