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165385-93-3 molecular structure
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N-(2-heptylcyclopentylidene)hydroxylamine

ChemBase ID: 79430
Molecular Formular: C12H23NO
Molecular Mass: 197.31712
Monoisotopic Mass: 197.17796436
SMILES and InChIs

SMILES:
N(=C\1/C(CCC1)CCCCCCC)\O
Canonical SMILES:
CCCCCCCC1CCC/C/1=N\O
InChI:
InChI=1S/C12H23NO/c1-2-3-4-5-6-8-11-9-7-10-12(11)13-14/h11,14H,2-10H2,1H3
InChIKey:
QKTMJYBDXVBHRN-UHFFFAOYSA-N

Cite this record

CBID:79430 http://www.chembase.cn/molecule-79430.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-heptylcyclopentylidene)hydroxylamine
IUPAC Traditional name
N-(2-heptylcyclopentylidene)hydroxylamine
Synonyms
2-heptylcyclopentan-1-one oxime
CAS Number
165385-93-3
MDL Number
MFCD00180247
PubChem SID
162044193
PubChem CID
5708545

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 5708545 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.735153  H Acceptors
H Donor LogD (pH = 5.5) 4.261868 
LogD (pH = 7.4) 4.263463  Log P 4.2635036 
Molar Refractivity 59.6486 cm3 Polarizability 23.526913 Å3
Polar Surface Area 32.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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