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14156-95-7 molecular structure
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2-(4-methylpiperidin-1-yl)ethan-1-amine

ChemBase ID: 11548
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
N1(CCC(CC1)C)CCN
Canonical SMILES:
NCCN1CCC(CC1)C
InChI:
InChI=1S/C8H18N2/c1-8-2-5-10(6-3-8)7-4-9/h8H,2-7,9H2,1H3
InChIKey:
BTEYOILJVIONOI-UHFFFAOYSA-N

Cite this record

CBID:11548 http://www.chembase.cn/molecule-11548.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methylpiperidin-1-yl)ethan-1-amine
IUPAC Traditional name
2-(4-methylpiperidin-1-yl)ethanamine
Synonyms
2-(4-methyl-1-piperidinyl)ethanamine
2-(4-Methyl-piperidin-1-yl)-ethylamine
2-(4-Methyl-1-piperidinyl)ethanamine
2-(4-methylpiperidin-1-yl)ethanamine
CAS Number
14156-95-7
MDL Number
MFCD00129007
PubChem SID
160974855
PubChem CID
783700

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.314931  LogD (pH = 7.4) -2.02338 
Log P 0.53057086  Molar Refractivity 44.6285 cm3
Polarizability 17.811394 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.271 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)
C8H18N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00184 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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