Home Other Building Blocks 2-(5-ethylfuran-2-yl)azepane

2-(5-ethylfuran-2-yl)azepane

CAS No.:
1333890-80-4
Catalog Number:
AG01AJJP
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
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Product Description
Catalog Number:
AG01AJJP
Chemical Name:
2-(5-ethylfuran-2-yl)azepane
CAS Number:
1333890-80-4
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
MDL Number:
MFCD19982356
IUPAC Name:
2-(5-ethylfuran-2-yl)azepane
InChI:
InChI=1S/C12H19NO/c1-2-10-7-8-12(14-10)11-6-4-3-5-9-13-11/h7-8,11,13H,2-6,9H2,1H3
InChI Key:
MBILJSJRGXSZTP-UHFFFAOYSA-N
SMILES:
CCc1ccc(o1)C1CCCCCN1
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties