Home Other Building Blocks 2-(2-tert-butylphenoxy)-1-(1,4-diazepan-1-yl)ethan-1-one

2-(2-tert-butylphenoxy)-1-(1,4-diazepan-1-yl)ethan-1-one

CAS No.:
1225727-10-5
Catalog Number:
AG01A1Z4
Molecular Formula:
C17H26N2O2
Molecular Weight:
290.4005
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Product Description
Catalog Number:
AG01A1Z4
Chemical Name:
2-(2-tert-butylphenoxy)-1-(1,4-diazepan-1-yl)ethan-1-one
CAS Number:
1225727-10-5
Molecular Formula:
C17H26N2O2
Molecular Weight:
290.4005
MDL Number:
MFCD16453091
IUPAC Name:
2-(2-tert-butylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
InChI:
InChI=1S/C17H26N2O2/c1-17(2,3)14-7-4-5-8-15(14)21-13-16(20)19-11-6-9-18-10-12-19/h4-5,7-8,18H,6,9-13H2,1-3H3
InChI Key:
IZFHQNHTYAAKRS-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCCC1)COc1ccccc1C(C)(C)C
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.199g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.407g/mol
Monoisotopic Mass:
290.199g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties