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Home > Imidazoles > 1334147-94-2
1334147-94-2 | 1-{[1-(propan-2-yl)-1H-imidazol-2-yl]methyl}-1,4-diazepane
CAS No: 1334147-94-2 Catalog No: AG01ABB6 MDL No:MFCD19686212
Product Description
Catalog Number:
AG01ABB6
Chemical Name:
1-{[1-(propan-2-yl)-1H-imidazol-2-yl]methyl}-1,4-diazepane
CAS Number:
1334147-94-2
Molecular Formula:
C12H22N4
Molecular Weight:
222.3299
MDL Number:
MFCD19686212
IUPAC Name:
1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepane
InChI:
InChI=1S/C12H22N4/c1-11(2)16-9-6-14-12(16)10-15-7-3-4-13-5-8-15/h6,9,11,13H,3-5,7-8,10H2,1-2H3
InChI Key:
GWUOYWNYDCVREZ-UHFFFAOYSA-N
SMILES:
CC(n1ccnc1CN1CCNCCC1)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.336g/mol
Monoisotopic Mass:
222.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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