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61946-88-1 molecular structure
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(E)-N-[(4-ethylphenyl)methylidene]hydroxylamine

ChemBase ID: 250934
Molecular Formular: C9H11NO
Molecular Mass: 149.18974
Monoisotopic Mass: 149.08406398
SMILES and InChIs

SMILES:
N(=C\c1ccc(cc1)CC)/O
Canonical SMILES:
CCc1ccc(cc1)/C=N/O
InChI:
InChI=1S/C9H11NO/c1-2-8-3-5-9(6-4-8)7-10-11/h3-7,11H,2H2,1H3/b10-7+
InChIKey:
DCBIVYBFOCPTQI-JXMROGBWSA-N

Cite this record

CBID:250934 http://www.chembase.cn/molecule-250934.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(E)-N-[(4-ethylphenyl)methylidene]hydroxylamine
IUPAC Traditional name
(E)-N-[(4-ethylphenyl)methylidene]hydroxylamine
Synonyms
4-ethylbenzaldehyde oxime
CAS Number
61946-88-1
MDL Number
MFCD01235929
PubChem SID
164306844
PubChem CID
6904166

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-15705 external link Add to cart Please log in.
Data Source Data ID
PubChem 6904166 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.127078  H Acceptors
H Donor LogD (pH = 5.5) 2.651245 
LogD (pH = 7.4) 2.645121  Log P 2.653218 
Molar Refractivity 46.1059 cm3 Polarizability 17.184303 Å3
Polar Surface Area 32.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.793 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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