Home Other Building Blocks 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-1,4-diazepane

1-[(1-ethyl-1H-imidazol-2-yl)methyl]-1,4-diazepane

CAS No.:
1311317-01-7
Catalog Number:
AG01ABB4
Molecular Formula:
C11H20N4
Molecular Weight:
208.3033
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Product Description
Catalog Number:
AG01ABB4
Chemical Name:
1-[(1-ethyl-1H-imidazol-2-yl)methyl]-1,4-diazepane
CAS Number:
1311317-01-7
Molecular Formula:
C11H20N4
Molecular Weight:
208.3033
MDL Number:
MFCD16863138
IUPAC Name:
1-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane
InChI:
InChI=1S/C11H20N4/c1-2-15-9-6-13-11(15)10-14-7-3-4-12-5-8-14/h6,9,12H,2-5,7-8,10H2,1H3
InChI Key:
NENKCGPOMJIOGP-UHFFFAOYSA-N
SMILES:
CCn1ccnc1CN1CCNCCC1
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.169g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.309g/mol
Monoisotopic Mass:
208.169g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties