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

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

CAS No.:
1315368-72-9
Catalog Number:
AG01AJ3K
Molecular Formula:
C11H20Cl2N4O
Molecular Weight:
295.2087
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Product Description
Catalog Number:
AG01AJ3K
Chemical Name:
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane dihydrochloride
CAS Number:
1315368-72-9
Molecular Formula:
C11H20Cl2N4O
Molecular Weight:
295.2087
MDL Number:
MFCD19382045
IUPAC Name:
5-cyclopropyl-3-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole;dihydrochloride
InChI:
InChI=1S/C11H18N4O.2ClH/c1-4-12-5-7-15(6-1)8-10-13-11(16-14-10)9-2-3-9;;/h9,12H,1-8H2;2*1H
InChI Key:
YGNZORFYUUIYAT-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)Cc1noc(n1)C1CC1.Cl.Cl
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.101g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
295.208g/mol
Monoisotopic Mass:
294.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties