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100133-00-4 | Cyclohexanamine, 1-(2-thienyl)-
CAS No: 100133-00-4 Catalog No: AG00012E MDL No:MFCD04037522
Product Description
Catalog Number:
AG00012E
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
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
Literature
| Title | Journal |
|---|---|
| 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. | Bioorganic & medicinal chemistry 20070615 |
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