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Home > Imidazoles > 1094317-96-0
1094317-96-0 | 1-[(1-methyl-1H-imidazol-2-yl)methyl]-1,4-diazepane
CAS No: 1094317-96-0 Catalog No: AG01ABB3 MDL No:MFCD11182271
Product Description
Catalog Number:
AG01ABB3
Chemical Name:
1-[(1-methyl-1H-imidazol-2-yl)methyl]-1,4-diazepane
CAS Number:
1094317-96-0
Molecular Formula:
C10H18N4
Molecular Weight:
194.2767
MDL Number:
MFCD11182271
IUPAC Name:
1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
InChI:
InChI=1S/C10H18N4/c1-13-7-5-12-10(13)9-14-6-2-3-11-4-8-14/h5,7,11H,2-4,6,8-9H2,1H3
InChI Key:
HOJXKEGNUNGNOV-UHFFFAOYSA-N
SMILES:
Cn1ccnc1CN1CCNCCC1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.153g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.282g/mol
Monoisotopic Mass:
194.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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