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125827-86-3 | Cyclohexanamine, 1-(3-fluorophenyl)-
CAS No: 125827-86-3 Catalog No: AG000OT8 MDL No:MFCD11103947
Product Description
Catalog Number:
AG000OT8
Chemical Name:
Cyclohexanamine, 1-(3-fluorophenyl)-
CAS Number:
125827-86-3
Molecular Formula:
C12H16FN
Molecular Weight:
193.2605
MDL Number:
MFCD11103947
IUPAC Name:
1-(3-fluorophenyl)cyclohexan-1-amine
InChI:
InChI=1S/C12H16FN/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12/h4-6,9H,1-3,7-8,14H2
InChI Key:
JNWGVEKXINNKAU-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C1(N)CCCCC1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.127g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.265g/mol
Monoisotopic Mass:
193.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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