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873-69-8 molecular structure
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(E)-N-(pyridin-2-ylmethylidene)hydroxylamine

ChemBase ID: 78543
Molecular Formular: C6H6N2O
Molecular Mass: 122.12464
Monoisotopic Mass: 122.04801282
SMILES and InChIs

SMILES:
n1c(cccc1)/C=N/O
Canonical SMILES:
O/N=C/c1ccccn1
InChI:
InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H
InChIKey:
MTFJSAGADRTKCI-UHFFFAOYSA-N

Cite this record

CBID:78543 http://www.chembase.cn/molecule-78543.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(E)-N-(pyridin-2-ylmethylidene)hydroxylamine
N-(pyridin-2-ylmethylidene)hydroxylamine
IUPAC Traditional name
3-pyridine-aldoxime
2-pyridinealdoxime
Synonyms
[C(E)]-2-Pyridinecarboxaldehyde Oxime
(E)-2-Pyridinecarboxaldehyde Oxime
(E)-Picolinaldehyde Oxime
(E)-2-Pyridylaldoxime
syn-2-Pyridine Aldoxime
syn-Pyridin-2-aldoxime
syn-2-Pyridinealdoxime
Pyridine-2-aldoxime
Pyridine-2-carboxaldoxime
syn-2-Pyridinealdoxime
Picolinaldehyde oxime
syn-Pyridine-2-carboxaldehyde oxime
syn-Pyridine-2-aldoxime
Pyridine-2-carboxaldehyde oxime
Pyridine-2-aldoxime
吡啶-2-甲醛肟
吡啶-2-醛肟
CAS Number
873-69-8
1193-96-0
EC Number
212-849-6
MDL Number
MFCD00167166
MFCD00006354
Beilstein Number
109061
PubChem SID
24898710
162043306
PubChem CID
5356792

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.875868  H Acceptors
H Donor LogD (pH = 5.5) 1.1435865 
LogD (pH = 7.4) 1.130322  Log P 1.1520987 
Molar Refractivity 33.9216 cm3 Polarizability 12.684851 Å3
Polar Surface Area 45.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
methanol: soluble0.1 g/mL, clear expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
110-112 °C(lit.) expand Show data source
110-112°C expand Show data source
110-112°C expand Show data source
111-113 °C expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
Harmful expand Show data source
Irritant expand Show data source
RTECS
TJ4180000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
22-37/38-41 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301 expand Show data source
H302-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P264-P270-P301+P310-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
≥98.0% (NT) expand Show data source
≥99% expand Show data source
95+% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C6H6N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - P58200 external link
Packaging
25, 100 g in glass bottle
Sigma Aldrich - 82760 external link
Other Notes
Reagent for the spectrophotomeric determination of Au(II), Co(II), Cu(II), Fe(II), Pd(II) and Ru(III), a review1; Utilization in peptide synthesis2
Toronto Research Chemicals - P991290 external link
syn-2-Pyridinealdoxime is a 2-substituted pyridine derivative with inhibitory activity against prolyl-4-hydroxylase. syn-2-Pyridinealdoxime is used in the preparation of DNA-binding silver nitrate complexes. syn-2-Pyridinealdoximeis the N-demethylated ana

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Dowell, R.I. et al.: Eur. J. Med. Chem., 28, 513 (1993)
  • • Hoskovcova, M. et al.: Neuroendorinol. Lett., 30, 152 (1993)
  • • Abu-Youssef, M.A.M.: Inorg. Chem., 49, 9788 (1993)
  • • The tetramethylguanidine salt was one of the best reagents tried for cleavage of a 2-chlorophenyl protecting group in oligonucleotide synthesis: Tetrahedron Lett., 2727 (1978).
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PATENTS

PATENTS

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INTERNET

INTERNET

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