Home > Compound List > Compound details
MFCD17480369 molecular structure
click picture or here to close

1-(2-azidopropan-2-yl)-2-methoxybenzene

ChemBase ID: 270308
Molecular Formular: C10H13N3O
Molecular Mass: 191.22972
Monoisotopic Mass: 191.10586205
SMILES and InChIs

SMILES:
[N+](=[N-])=NC(c1c(OC)cccc1)(C)C
Canonical SMILES:
[N-]=[N+]=NC(c1ccccc1OC)(C)C
InChI:
InChI=1S/C10H13N3O/c1-10(2,12-13-11)8-6-4-5-7-9(8)14-3/h4-7H,1-3H3
InChIKey:
XKEFVSIIMSTLBS-UHFFFAOYSA-N

Cite this record

CBID:270308 http://www.chembase.cn/molecule-270308.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-azidopropan-2-yl)-2-methoxybenzene
IUPAC Traditional name
1-(2-azidopropan-2-yl)-2-methoxybenzene
Synonyms
1-(2-azidopropan-2-yl)-2-methoxybenzene
MDL Number
MFCD17480369
PubChem SID
164326218
PubChem CID
50989191

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69118 external link Add to cart Please log in.
Data Source Data ID
PubChem 50989191 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4516752  LogD (pH = 7.4) 2.4516752 
Log P 2.5657208  Molar Refractivity 54.6866 cm3
Polarizability 20.62164 Å3 Polar Surface Area 38.66 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.891 expand Show data source
Purity
95% expand Show data source

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