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34967-19-6 molecular structure
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(E)-N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine

ChemBase ID: 249295
Molecular Formular: C9H11NO3
Molecular Mass: 181.18854
Monoisotopic Mass: 181.07389322
SMILES and InChIs

SMILES:
c1(c(ccc(c1)OC)OC)/C=N/O
Canonical SMILES:
O/N=C/c1cc(OC)ccc1OC
InChI:
InChI=1S/C9H11NO3/c1-12-8-3-4-9(13-2)7(5-8)6-10-11/h3-6,11H,1-2H3/b10-6+
InChIKey:
PJDJPYGFERKCDR-UXBLZVDNSA-N

Cite this record

CBID:249295 http://www.chembase.cn/molecule-249295.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(E)-N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
IUPAC Traditional name
(E)-N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
Synonyms
2,5-dimethoxybenzaldehyde oxime
CAS Number
34967-19-6
MDL Number
MFCD01018875
PubChem SID
164305205
PubChem CID
5706338

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-13149 external link Add to cart Please log in.
Data Source Data ID
PubChem 5706338 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.145661  H Acceptors
H Donor LogD (pH = 5.5) 1.37013 
LogD (pH = 7.4) 0.9365928  Log P 1.3798854 
Molar Refractivity 49.3901 cm3 Polarizability 18.628315 Å3
Polar Surface Area 51.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
95 - 96°C expand Show data source
Hydrophobicity(logP)
1.475 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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