Home Other Building Blocks 1-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,4-diazepane dihydrochloride

1-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,4-diazepane dihydrochloride

CAS No.:
1315368-78-5
Catalog Number:
AG01AJ3J
Molecular Formula:
C11H22Cl2N4O
Molecular Weight:
297.2246
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Product Description
Catalog Number:
AG01AJ3J
Chemical Name:
1-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,4-diazepane dihydrochloride
CAS Number:
1315368-78-5
Molecular Formula:
C11H22Cl2N4O
Molecular Weight:
297.2246
MDL Number:
MFCD19382044
IUPAC Name:
3-(1,4-diazepan-1-ylmethyl)-5-propan-2-yl-1,2,4-oxadiazole;dihydrochloride
InChI:
InChI=1S/C11H20N4O.2ClH/c1-9(2)11-13-10(14-16-11)8-15-6-3-4-12-5-7-15;;/h9,12H,3-8H2,1-2H3;2*1H
InChI Key:
HBQWPLPXGLWXJA-UHFFFAOYSA-N
SMILES:
CC(c1onc(n1)CN1CCNCCC1)C.Cl.Cl
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.117g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
297.224g/mol
Monoisotopic Mass:
296.117g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties