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213627-39-5 molecular structure
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N-(1-ethylpiperidin-3-ylidene)hydroxylamine hydrochloride

ChemBase ID: 75341
Molecular Formular: C7H15ClN2O
Molecular Mass: 178.6598
Monoisotopic Mass: 178.08729079
SMILES and InChIs

SMILES:
N1(CC)CCC/C(=N\O)/C1.Cl
Canonical SMILES:
CCN1CCC/C(=N\O)/C1.Cl
InChI:
InChI=1S/C7H14N2O.ClH/c1-2-9-5-3-4-7(6-9)8-10;/h10H,2-6H2,1H3;1H
InChIKey:
TYHIWTMODLXOMO-UHFFFAOYSA-N

Cite this record

CBID:75341 http://www.chembase.cn/molecule-75341.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-ethylpiperidin-3-ylidene)hydroxylamine hydrochloride
IUPAC Traditional name
N-(1-ethylpiperidin-3-ylidene)hydroxylamine hydrochloride
Synonyms
1-Ethylpiperidin-3-oxime hydrochloride 97%
CAS Number
213627-39-5
MDL Number
MFCD08445624
PubChem SID
162040259
PubChem CID
45074544

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR11246 external link Add to cart Please log in.
Data Source Data ID
PubChem 45074544 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.732152  H Acceptors
H Donor LogD (pH = 5.5) -1.8600061 
LogD (pH = 7.4) -0.0979384  Log P 0.591069 
Molar Refractivity 41.0894 cm3 Polarizability 15.840032 Å3
Polar Surface Area 35.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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