Home > Compound List > Compound details
1018475-23-4 molecular structure
click picture or here to close

1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride

ChemBase ID: 55355
Molecular Formular: C6H12ClN3O
Molecular Mass: 177.63198
Monoisotopic Mass: 177.0668897
SMILES and InChIs

SMILES:
n1c(onc1C)C(N)CC.Cl
Canonical SMILES:
CCC(c1onc(n1)C)N.Cl
InChI:
InChI=1S/C6H11N3O.ClH/c1-3-5(7)6-8-4(2)9-10-6;/h5H,3,7H2,1-2H3;1H
InChIKey:
ASKCEVOQIWJHJA-UHFFFAOYSA-N

Cite this record

CBID:55355 http://www.chembase.cn/molecule-55355.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride
IUPAC Traditional name
1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride
Synonyms
[1-(3-Methyl-1,2,4-oxadiazol-5-yl)propyl]amine hydrochloride
CAS Number
1018475-23-4
MDL Number
MFCD16038571
PubChem SID
162060118
PubChem CID
50998509

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
060528 external link Add to cart Please log in.
Data Source Data ID
PubChem 50998509 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2956662  LogD (pH = 7.4) 0.3033527 
Log P 0.6218513  Molar Refractivity 38.1168 cm3
Polarizability 14.278346 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