Home > Compound List > Compound details
1060817-49-3 molecular structure
click picture or here to close

(5-cyclopropyl-1,2-oxazol-3-yl)methanamine hydrochloride

ChemBase ID: 55415
Molecular Formular: C7H11ClN2O
Molecular Mass: 174.62804
Monoisotopic Mass: 174.05599066
SMILES and InChIs

SMILES:
c1(cc(no1)CN)C1CC1.Cl
Canonical SMILES:
NCc1noc(c1)C1CC1.Cl
InChI:
InChI=1S/C7H10N2O.ClH/c8-4-6-3-7(10-9-6)5-1-2-5;/h3,5H,1-2,4,8H2;1H
InChIKey:
KESPLEVQOQAPRT-UHFFFAOYSA-N

Cite this record

CBID:55415 http://www.chembase.cn/molecule-55415.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-cyclopropyl-1,2-oxazol-3-yl)methanamine hydrochloride
IUPAC Traditional name
(5-cyclopropyl-1,2-oxazol-3-yl)methanamine hydrochloride
Synonyms
1-(5-Cyclopropyl-3-isoxazolyl)methanamine hydrochloride
[(5-Cyclopropylisoxazol-3-yl)methyl]amine hydrochloride
CAS Number
1060817-49-3
MDL Number
MFCD16039366
PubChem SID
162060178
PubChem CID
50998532

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 50998532 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.31595  LogD (pH = 7.4) -0.6312419 
Log P 0.16836219  Molar Refractivity 37.7943 cm3
Polarizability 14.402823 Å3 Polar Surface Area 52.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Empirical Formula (Hill Notation)
C7H11ClN2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00905 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com.
Legal Information
Product of ChemBridge Corp.

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