Home Other Building Blocks 3-(oxan-4-yl)azepane

3-(oxan-4-yl)azepane

CAS No.:
1547080-97-6
Catalog Number:
AG01BI50
Molecular Formula:
C11H21NO
Molecular Weight:
183.2905
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Product Description
Catalog Number:
AG01BI50
Chemical Name:
3-(oxan-4-yl)azepane
CAS Number:
1547080-97-6
Molecular Formula:
C11H21NO
Molecular Weight:
183.2905
MDL Number:
MFCD30502068
IUPAC Name:
3-(oxan-4-yl)azepane
InChI:
InChI=1S/C11H21NO/c1-2-6-12-9-11(3-1)10-4-7-13-8-5-10/h10-12H,1-9H2
InChI Key:
SUVDCNQDCJXNDX-UHFFFAOYSA-N
SMILES:
O1CCC(CC1)C1CCCCNC1
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.162g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.295g/mol
Monoisotopic Mass:
183.162g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties