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64328-61-6 molecular structure
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4-butoxybenzohydrazide

ChemBase ID: 27102
Molecular Formular: C11H16N2O2
Molecular Mass: 208.25694
Monoisotopic Mass: 208.12117776
SMILES and InChIs

SMILES:
C(=O)(c1ccc(cc1)OCCCC)NN
Canonical SMILES:
CCCCOc1ccc(cc1)C(=O)NN
InChI:
InChI=1S/C11H16N2O2/c1-2-3-8-15-10-6-4-9(5-7-10)11(14)13-12/h4-7H,2-3,8,12H2,1H3,(H,13,14)
InChIKey:
DTSNDHRSCBHKGR-UHFFFAOYSA-N

Cite this record

CBID:27102 http://www.chembase.cn/molecule-27102.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-butoxybenzohydrazide
IUPAC Traditional name
4-butoxybenzohydrazide
Synonyms
4-Butoxybenzohydrazide
CAS Number
64328-61-6
MDL Number
MFCD00452662
PubChem SID
160990409
PubChem CID
313348

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
029656 external link Add to cart Please log in.
Data Source Data ID
PubChem 313348 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.507529  H Acceptors
H Donor LogD (pH = 5.5) 1.6926905 
LogD (pH = 7.4) 1.6936262  Log P 1.6936382 
Molar Refractivity 59.9573 cm3 Polarizability 22.627079 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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