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5399-22-4 molecular structure
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dodecanehydrazide

ChemBase ID: 25814
Molecular Formular: C12H26N2O
Molecular Mass: 214.34764
Monoisotopic Mass: 214.20451346
SMILES and InChIs

SMILES:
C(=O)(NN)CCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCC(=O)NN
InChI:
InChI=1S/C12H26N2O/c1-2-3-4-5-6-7-8-9-10-11-12(15)14-13/h2-11,13H2,1H3,(H,14,15)
InChIKey:
YTQHSQQSLTYMSL-UHFFFAOYSA-N

Cite this record

CBID:25814 http://www.chembase.cn/molecule-25814.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodecanehydrazide
IUPAC Traditional name
dodecanehydrazide
Synonyms
Dodecanohydrazide
Lauric acid hydrazide
Dodecanoic hydrazide
月桂酸肼
CAS Number
5399-22-4
MDL Number
MFCD00025132
PubChem SID
160989121
PubChem CID
219621

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.358329  H Acceptors
H Donor LogD (pH = 5.5) 3.3723364 
LogD (pH = 7.4) 3.3748572  Log P 3.3748899 
Molar Refractivity 64.9859 cm3 Polarizability 25.46934 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
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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