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MFCD02090615 molecular structure
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N'-hydroxy-2-(naphthalen-1-yl)ethanimidamide

ChemBase ID: 74209
Molecular Formular: C12H12N2O
Molecular Mass: 200.23648
Monoisotopic Mass: 200.09496301
SMILES and InChIs

SMILES:
N(=C(\Cc1cccc2c1cccc2)/N)/O
Canonical SMILES:
O/N=C(/Cc1cccc2c1cccc2)\N
InChI:
InChI=1S/C12H12N2O/c13-12(14-15)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,15H,8H2,(H2,13,14)
InChIKey:
NWWCOKUDFCFADE-UHFFFAOYSA-N

Cite this record

CBID:74209 http://www.chembase.cn/molecule-74209.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N'-hydroxy-2-(naphthalen-1-yl)ethanimidamide
IUPAC Traditional name
N'-hydroxy-2-(naphthalen-1-yl)ethanimidamide
Synonyms
2-(1-Naphthyl)acetamidoxime
MDL Number
MFCD02090615
PubChem SID
162039128
PubChem CID
9580380

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR0667 external link Add to cart Please log in.
Data Source Data ID
PubChem 9580380 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.711582  H Acceptors
H Donor LogD (pH = 5.5) 1.6481758 
LogD (pH = 7.4) 1.8566905  Log P 1.8601747 
Molar Refractivity 59.5818 cm3 Polarizability 24.113789 Å3
Polar Surface Area 58.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
108-111°C expand Show data source
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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