Home > Compound List > Compound details
1082584-63-1 molecular structure
click picture or here to close

2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethan-1-amine hydrochloride

ChemBase ID: 55357
Molecular Formular: C7H12ClN3O
Molecular Mass: 189.64268
Monoisotopic Mass: 189.0668897
SMILES and InChIs

SMILES:
n1c(onc1CCN)C1CC1.Cl
Canonical SMILES:
NCCc1noc(n1)C1CC1.Cl
InChI:
InChI=1S/C7H11N3O.ClH/c8-4-3-6-9-7(11-10-6)5-1-2-5;/h5H,1-4,8H2;1H
InChIKey:
VWNSOIQENFQKTD-UHFFFAOYSA-N

Cite this record

CBID:55357 http://www.chembase.cn/molecule-55357.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethan-1-amine hydrochloride
IUPAC Traditional name
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethanamine hydrochloride
Synonyms
[2-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-amine hydrochloride
CAS Number
1082584-63-1
MDL Number
MFCD16038572
PubChem SID
162060120
PubChem CID
50998510

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
060530 external link Add to cart Please log in.
Data Source Data ID
PubChem 50998510 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.59286  LogD (pH = 7.4) -1.3308922 
Log P 0.51012397  Molar Refractivity 41.1975 cm3
Polarizability 15.320628 Å3 Polar Surface Area 64.94 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