Home Other Building Blocks 2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane hydrochloride

2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane hydrochloride

CAS No.:
1461713-65-4
Catalog Number:
AG01A71C
Molecular Formula:
C9H16ClN3O
Molecular Weight:
217.6958
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Product Description
Catalog Number:
AG01A71C
Chemical Name:
2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane hydrochloride
CAS Number:
1461713-65-4
Molecular Formula:
C9H16ClN3O
Molecular Weight:
217.6958
MDL Number:
MFCD25970502
IUPAC Name:
3-(azepan-2-yl)-5-methyl-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C9H15N3O.ClH/c1-7-11-9(12-13-7)8-5-3-2-4-6-10-8;/h8,10H,2-6H2,1H3;1H
InChI Key:
IXEHDWQEZIPFHD-UHFFFAOYSA-N
SMILES:
Cc1onc(n1)C1CCCCCN1.Cl
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.098g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.697g/mol
Monoisotopic Mass:
217.098g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties