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885669-11-4 molecular structure
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N'-phenyl-N'-(propan-2-yl)acetohydrazide

ChemBase ID: 88418
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
N(N(c1ccccc1)C(C)C)C(=O)C
Canonical SMILES:
CC(N(c1ccccc1)NC(=O)C)C
InChI:
InChI=1S/C11H16N2O/c1-9(2)13(12-10(3)14)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,12,14)
InChIKey:
OFQYWXJFFAVUNV-UHFFFAOYSA-N

Cite this record

CBID:88418 http://www.chembase.cn/molecule-88418.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N'-phenyl-N'-(propan-2-yl)acetohydrazide
IUPAC Traditional name
N'-isopropyl-N'-phenylacetohydrazide
Synonyms
N'-Phenyl-N'-(prop-2-yl)acetohydrazide
N'-Isopropyl-N'-phenylacetohydrazide
CAS Number
885669-11-4
PubChem SID
162075376
PubChem CID
44119437

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR40481 external link Add to cart Please log in.
Data Source Data ID
PubChem 44119437 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.870753  H Acceptors
H Donor LogD (pH = 5.5) 1.8921279 
LogD (pH = 7.4) 1.8922126  Log P 1.892214 
Molar Refractivity 67.1192 cm3 Polarizability 21.87896 Å3
Polar Surface Area 32.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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