Home > Compound List > Compound details
54376-65-7 molecular structure
click picture or here to close

N,N-diethyl-4-[(1E)-(hydroxyimino)methyl]aniline

ChemBase ID: 250925
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
c1(N(CC)CC)ccc(/C=N/O)cc1
Canonical SMILES:
O/N=C/c1ccc(cc1)N(CC)CC
InChI:
InChI=1S/C11H16N2O/c1-3-13(4-2)11-7-5-10(6-8-11)9-12-14/h5-9,14H,3-4H2,1-2H3/b12-9+
InChIKey:
DHNWBEYWLRLFHM-FMIVXFBMSA-N

Cite this record

CBID:250925 http://www.chembase.cn/molecule-250925.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethyl-4-[(1E)-(hydroxyimino)methyl]aniline
IUPAC Traditional name
N,N-diethyl-4-[(1E)-(hydroxyimino)methyl]aniline
Synonyms
4-Diethylaminobenzaldehyde oxime
4-Diethylaminobenzaldoxime
4-(diethylamino)benzaldehyde oxime
4-二乙基氨基苯甲醛肟
CAS Number
54376-65-7
MDL Number
MFCD00051801
Beilstein Number
2722071
PubChem SID
164306835
PubChem CID
6876690

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6876690 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.747848  H Acceptors
H Donor LogD (pH = 5.5) 2.424359 
LogD (pH = 7.4) 2.5133991  Log P 2.5168877 
Molar Refractivity 60.3895 cm3 Polarizability 22.081766 Å3
Polar Surface Area 35.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
94 - 96°C expand Show data source
94-97°C expand Show data source
Hydrophobicity(logP)
2.988 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle