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859629-83-7 molecular structure
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1-(2-aminoethyl)cyclopentan-1-ol

ChemBase ID: 57188
Molecular Formular: C7H15NO
Molecular Mass: 129.2001
Monoisotopic Mass: 129.11536411
SMILES and InChIs

SMILES:
C1CCC(C1)(O)CCN
Canonical SMILES:
NCCC1(O)CCCC1
InChI:
InChI=1S/C7H15NO/c8-6-5-7(9)3-1-2-4-7/h9H,1-6,8H2
InChIKey:
HRYBUTIAGJBDDV-UHFFFAOYSA-N

Cite this record

CBID:57188 http://www.chembase.cn/molecule-57188.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-aminoethyl)cyclopentan-1-ol
IUPAC Traditional name
1-(2-aminoethyl)cyclopentan-1-ol
Synonyms
1-(2-Aminoethyl)cyclopentanol
1-(2-Aminoethyl)cyclopentanol
CAS Number
859629-83-7
MDL Number
MFCD00778620
PubChem SID
162061951
PubChem CID
22273129

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22273129 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.74258  H Acceptors
H Donor LogD (pH = 5.5) -2.9884253 
LogD (pH = 7.4) -2.3045502  Log P 0.022869442 
Molar Refractivity 37.3793 cm3 Polarizability 15.038956 Å3
Polar Surface Area 46.25 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)
C7H15NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00021 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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