Home > Compound List > Compound details
954220-73-6 molecular structure
click picture or here to close

3-(4-methylphenoxy)azetidine

ChemBase ID: 307985
Molecular Formular: C10H13NO
Molecular Mass: 163.21632
Monoisotopic Mass: 163.09971404
SMILES and InChIs

SMILES:
N1CC(Oc2ccc(cc2)C)C1
Canonical SMILES:
Cc1ccc(cc1)OC1CNC1
InChI:
InChI=1S/C10H13NO/c1-8-2-4-9(5-3-8)12-10-6-11-7-10/h2-5,10-11H,6-7H2,1H3
InChIKey:
IKXZLYWIOATIPO-UHFFFAOYSA-N

Cite this record

CBID:307985 http://www.chembase.cn/molecule-307985.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-methylphenoxy)azetidine
IUPAC Traditional name
3-(4-methylphenoxy)azetidine
Synonyms
3-(4-methylphenoxy)azetidine
CAS Number
954220-73-6
MDL Number
MFCD09756539

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4026702 external link Add to cart
Data Source Data ID Price
ChemBridge
4026702 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0073158  LogD (pH = 7.4) 0.63721585 
Log P 1.8528347  Molar Refractivity 47.988 cm3
Polarizability 19.099586 Å3 Polar Surface Area 21.26 Å2

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