Home > Compound List > Compound details
1515-27-1 molecular structure
click picture or here to close

N-(1-methylpiperidin-4-ylidene)hydroxylamine

ChemBase ID: 87704
Molecular Formular: C6H12N2O
Molecular Mass: 128.17228
Monoisotopic Mass: 128.09496301
SMILES and InChIs

SMILES:
N1(CCC(=NO)CC1)C
Canonical SMILES:
ON=C1CCN(CC1)C
InChI:
InChI=1S/C6H12N2O/c1-8-4-2-6(7-9)3-5-8/h9H,2-5H2,1H3
InChIKey:
PMWKIHOURGCZOJ-UHFFFAOYSA-N

Cite this record

CBID:87704 http://www.chembase.cn/molecule-87704.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-methylpiperidin-4-ylidene)hydroxylamine
IUPAC Traditional name
N-(1-methylpiperidin-4-ylidene)hydroxylamine
Synonyms
4-Hydroxyimino-N-methylpiperidine 97%
1-methylpiperidin-4-one oxime
CAS Number
1515-27-1
MDL Number
MFCD00173927
PubChem SID
162074744
PubChem CID
339053

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 339053 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.675793  H Acceptors
H Donor LogD (pH = 5.5) -2.9319048 
LogD (pH = 7.4) -1.2727487  Log P 0.18261258 
Molar Refractivity 36.2852 cm3 Polarizability 14.000937 Å3
Polar Surface Area 35.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
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