Home > Compound List > Compound details
669745-23-7 molecular structure
click picture or here to close

2-(2,3-dihydro-1H-inden-5-yloxy)propanehydrazide

ChemBase ID: 27214
Molecular Formular: C12H16N2O2
Molecular Mass: 220.26764
Monoisotopic Mass: 220.12117776
SMILES and InChIs

SMILES:
C(=O)(C(Oc1cc2c(cc1)CCC2)C)NN
Canonical SMILES:
NNC(=O)C(Oc1ccc2c(c1)CCC2)C
InChI:
InChI=1S/C12H16N2O2/c1-8(12(15)14-13)16-11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4,13H2,1H3,(H,14,15)
InChIKey:
BUYZYHKSNBCYEQ-UHFFFAOYSA-N

Cite this record

CBID:27214 http://www.chembase.cn/molecule-27214.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,3-dihydro-1H-inden-5-yloxy)propanehydrazide
IUPAC Traditional name
2-(2,3-dihydro-1H-inden-5-yloxy)propanehydrazide
Synonyms
2-(2,3-Dihydro-1H-inden-5-yloxy)propanohydrazide
CAS Number
669745-23-7
MDL Number
MFCD03423134
PubChem SID
160990521
PubChem CID
3736678

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3736678 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.400745  H Acceptors
H Donor LogD (pH = 5.5) 1.7651917 
LogD (pH = 7.4) 1.7665678  Log P 1.7665893 
Molar Refractivity 62.2872 cm3 Polarizability 23.804737 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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