Home Amines 100133-00-4
100133-00-4,MFCD04037522
Catalog No.:AA0000ZM
Cyclohexanamine, 1-(2-thienyl)- | 100133-00-4
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100mg
95.0%
1 week  
$279.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000ZM
Chemical Name:
Cyclohexanamine, 1-(2-thienyl)-
CAS Number:
100133-00-4
Molecular Formula:
C10H15NS
Molecular Weight:
181.2978
MDL Number:
MFCD04037522
IUPAC Name:
1-thiophen-2-ylcyclohexan-1-amine
InChI:
InChI=1S/C10H15NS/c11-10(6-2-1-3-7-10)9-5-4-8-12-9/h4-5,8H,1-3,6-7,11H2
InChI Key:
UJIKDMHWQDKDPV-UHFFFAOYSA-N
SMILES:
NC1(CCCCC1)c1cccs1
Properties
Computed Properties
 
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.093g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.297g/mol
Monoisotopic Mass:
181.093g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
100133-00-4 
1-(thiophen-2-yl)cyclohexan-1-amine 
SCHEMBL2685822 
CTK0G9040 
DTXSID20356233 
1-(thiophen-2-yl)cyclohexanamine 
UJIKDMHWQDKDPV-UHFFFAOYSA-N 
ZINC337224 
AKOS010335854 
MCULE-2185609234 
NE57149 
EN300-82072 
Cyclohexanamine, 1-(2-thienyl)- 
Z1250132782 
CID820723 
1-(2-thienyl)cyclohexylamine 
1-thiophen-2-ylcyclohexan-1-amine 
AC1LGG3S 
1-(2-Thienyl)cyclohexanamine 
ACMC-20m382 
1-(2-thienyl)-cyclohexylamine 
CHEMBL252936 
Literature

Title: Adaptive neuro-fuzzy inference system (ANFIS): a new approach to predictive modeling in QSAR applications: a study of neuro-fuzzy modeling of PCP-based NMDA receptor antagonists.

Journal: Bioorganic & medicinal chemistry 20070615

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