Home Halogens [(4-chlorophenyl)(oxan-4-yl)methyl](methyl)amine

[(4-chlorophenyl)(oxan-4-yl)methyl](methyl)amine

CAS No.:
1340049-51-5
Catalog Number:
AG01BFZ1
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
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Product Description
Catalog Number:
AG01BFZ1
Chemical Name:
[(4-chlorophenyl)(oxan-4-yl)methyl](methyl)amine
CAS Number:
1340049-51-5
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
MDL Number:
MFCD17243770
IUPAC Name:
1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
InChI:
InChI=1S/C13H18ClNO/c1-15-13(11-6-8-16-9-7-11)10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3
InChI Key:
ZSLBNRHUYLKZEI-UHFFFAOYSA-N
SMILES:
CNC(c1ccc(cc1)Cl)C1CCOCC1
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.108g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.743g/mol
Monoisotopic Mass:
239.108g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties