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2158-31-8 molecular structure
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N-[(1E)-cycloheptylidene]hydroxylamine

ChemBase ID: 257317
Molecular Formular: C7H13NO
Molecular Mass: 127.18422
Monoisotopic Mass: 127.09971404
SMILES and InChIs

SMILES:
N(=C1CCCCCC1)O
Canonical SMILES:
ON=C1CCCCCC1
InChI:
InChI=1S/C7H13NO/c9-8-7-5-3-1-2-4-6-7/h9H,1-6H2
InChIKey:
OENGSNXUALAIFP-UHFFFAOYSA-N

Cite this record

CBID:257317 http://www.chembase.cn/molecule-257317.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1E)-cycloheptylidene]hydroxylamine
IUPAC Traditional name
N-[(1E)-cycloheptylidene]hydroxylamine
Synonyms
cycloheptanone oxime
CAS Number
2158-31-8
MDL Number
MFCD00046508
PubChem SID
164313227
PubChem CID
137457

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-39213 external link Add to cart Please log in.
Data Source Data ID
PubChem 137457 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.105103  H Acceptors
H Donor LogD (pH = 5.5) 1.938486 
LogD (pH = 7.4) 1.9421867  Log P 1.9422427 
Molar Refractivity 36.6701 cm3 Polarizability 14.31213 Å3
Polar Surface Area 32.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.754 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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