Home > Compound List > Compound details
73121-93-4 molecular structure
click picture or here to close

N-propylcyclopropanamine

ChemBase ID: 34342
Molecular Formular: C6H13N
Molecular Mass: 99.17412
Monoisotopic Mass: 99.10479942
SMILES and InChIs

SMILES:
C1CC1NCCC
Canonical SMILES:
CCCNC1CC1
InChI:
InChI=1S/C6H13N/c1-2-5-7-6-3-4-6/h6-7H,2-5H2,1H3
InChIKey:
DAOWJXCNVJBLNI-UHFFFAOYSA-N

Cite this record

CBID:34342 http://www.chembase.cn/molecule-34342.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-propylcyclopropanamine
IUPAC Traditional name
N-propylcyclopropanamine
Synonyms
N-Cyclopropyl-N-propylamine
N-Propylcyclopropanamine
N-propylcyclopropanamine
CAS Number
73121-93-4
MDL Number
MFCD09736943
PubChem SID
160997649
PubChem CID
12094059

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0787933  LogD (pH = 7.4) -1.602171 
Log P 1.1520164  Molar Refractivity 31.1772 cm3
Polarizability 12.598926 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.894 expand Show data source
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
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C6H13N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00141 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