Home > Compound List > Compound details
54951-36-9 molecular structure
click picture or here to close

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene)hydroxylamine

ChemBase ID: 91213
Molecular Formular: C11H13NO2
Molecular Mass: 191.22642
Monoisotopic Mass: 191.09462866
SMILES and InChIs

SMILES:
N(=C\1/CCCc2c1ccc(c2)OC)/O
Canonical SMILES:
O/N=C/1\CCCc2c1ccc(c2)OC
InChI:
InChI=1S/C11H13NO2/c1-14-9-5-6-10-8(7-9)3-2-4-11(10)12-13/h5-7,13H,2-4H2,1H3
InChIKey:
QEPLWBMPKVIAOH-UHFFFAOYSA-N

Cite this record

CBID:91213 http://www.chembase.cn/molecule-91213.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene)hydroxylamine
IUPAC Traditional name
N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
Synonyms
6-Methoxy-1-tetralone oxime 98%
CAS Number
54951-36-9
MDL Number
MFCD00795966
PubChem SID
162077917
PubChem CID
6304077

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6769 external link Add to cart Please log in.
Data Source Data ID
PubChem 6304077 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.888411  H Acceptors
H Donor LogD (pH = 5.5) 2.132214 
LogD (pH = 7.4) 2.1191049  Log P 2.1329331 
Molar Refractivity 54.6116 cm3 Polarizability 20.80853 Å3
Polar Surface Area 41.82 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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