Home Other Building Blocks 1-(4-ethoxypyrimidin-2-yl)-1,4-diazepane

1-(4-ethoxypyrimidin-2-yl)-1,4-diazepane

CAS No.:
1394775-76-8
Catalog Number:
AG019ZML
Molecular Formula:
C11H18N4O
Molecular Weight:
222.2868
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Product Description
Catalog Number:
AG019ZML
Chemical Name:
1-(4-ethoxypyrimidin-2-yl)-1,4-diazepane
CAS Number:
1394775-76-8
Molecular Formula:
C11H18N4O
Molecular Weight:
222.2868
MDL Number:
MFCD22391947
IUPAC Name:
1-(4-ethoxypyrimidin-2-yl)-1,4-diazepane
InChI:
InChI=1S/C11H18N4O/c1-2-16-10-4-6-13-11(14-10)15-8-3-5-12-7-9-15/h4,6,12H,2-3,5,7-9H2,1H3
InChI Key:
PKBQITCFKJSUHQ-UHFFFAOYSA-N
SMILES:
CCOc1ccnc(n1)N1CCNCCC1
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.148g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.292g/mol
Monoisotopic Mass:
222.148g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties