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Home Other Building Blocks Cyclohexanemethanamine, 1-phenyl-

Cyclohexanemethanamine, 1-phenyl-

CAS No.:
17380-54-0
Catalog Number:
AG001Z7Z
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
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Product Description
Catalog Number:
AG001Z7Z
Chemical Name:
Cyclohexanemethanamine, 1-phenyl-
CAS Number:
17380-54-0
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
MDL Number:
MFCD01734861
IUPAC Name:
(1-phenylcyclohexyl)methanamine
InChI:
InChI=1S/C13H19N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2
InChI Key:
ULRBJKIRTCBMRW-UHFFFAOYSA-N
SMILES:
NCC1(CCCCC1)c1ccccc1
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
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
Properties