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MFCD00168315 molecular structure
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N-[2-(hydroxyamino)-2-methyl-1-phenylpropylidene]hydroxylamine

ChemBase ID: 74092
Molecular Formular: C10H14N2O2
Molecular Mass: 194.23036
Monoisotopic Mass: 194.1055277
SMILES and InChIs

SMILES:
N(=C(\c1ccccc1)/C(NO)(C)C)/O
Canonical SMILES:
ONC(/C(=N\O)/c1ccccc1)(C)C
InChI:
InChI=1S/C10H14N2O2/c1-10(2,12-14)9(11-13)8-6-4-3-5-7-8/h3-7,12-14H,1-2H3
InChIKey:
FLVMMVWWXZODIT-UHFFFAOYSA-N

Cite this record

CBID:74092 http://www.chembase.cn/molecule-74092.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(hydroxyamino)-2-methyl-1-phenylpropylidene]hydroxylamine
IUPAC Traditional name
N-[2-(hydroxyamino)-2-methyl-1-phenylpropylidene]hydroxylamine
Synonyms
2-(Hydroxyamino)-2-methyl-1-phenylpropan-1-one oxime
MDL Number
MFCD00168315
PubChem SID
162039011
PubChem CID
5392395

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR0515 external link Add to cart Please log in.
Data Source Data ID
PubChem 5392395 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.8394475  H Acceptors
H Donor LogD (pH = 5.5) 1.7054739 
LogD (pH = 7.4) 1.0668919  Log P 1.7264119 
Molar Refractivity 65.1068 cm3 Polarizability 21.243223 Å3
Polar Surface Area 64.85 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
153-154°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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