sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 1-(4-methoxyphenyl)cyclohexan-1-amine

1-(4-methoxyphenyl)cyclohexan-1-amine

CAS No.:
125802-09-7
Catalog Number:
AG01A89L
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A89L
Chemical Name:
1-(4-methoxyphenyl)cyclohexan-1-amine
CAS Number:
125802-09-7
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD09903766
IUPAC Name:
1-(4-methoxyphenyl)cyclohexan-1-amine
InChI:
InChI=1S/C13H19NO/c1-15-12-7-5-11(6-8-12)13(14)9-3-2-4-10-13/h5-8H,2-4,9-10,14H2,1H3
InChI Key:
CFTBUCKEQRAUOF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(N)CCCCC1
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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