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Home > Imidazoles > 1311317-01-7
1311317-01-7 | 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-1,4-diazepane
CAS No: 1311317-01-7 Catalog No: AG01ABB4 MDL No:MFCD16863138
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
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