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

2-(5-methylfuran-2-yl)azepane

CAS No.:
1315365-46-8
Catalog Number:
AG01AJJQ
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
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Product Description
Catalog Number:
AG01AJJQ
Chemical Name:
2-(5-methylfuran-2-yl)azepane
CAS Number:
1315365-46-8
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD19382323
IUPAC Name:
2-(5-methylfuran-2-yl)azepane
InChI:
InChI=1S/C11H17NO/c1-9-6-7-11(13-9)10-5-3-2-4-8-12-10/h6-7,10,12H,2-5,8H2,1H3
InChI Key:
QGDVTEBOBGTUQK-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)C1CCCCCN1
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties