Home Other Building Blocks 4-(1H-1,2,3-triazol-1-yl)azepane dihydrochloride

4-(1H-1,2,3-triazol-1-yl)azepane dihydrochloride

CAS No.:
1955541-64-6
Catalog Number:
AG01B2MW
Molecular Formula:
C8H16Cl2N4
Molecular Weight:
239.1454
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Product Description
Catalog Number:
AG01B2MW
Chemical Name:
4-(1H-1,2,3-triazol-1-yl)azepane dihydrochloride
CAS Number:
1955541-64-6
Molecular Formula:
C8H16Cl2N4
Molecular Weight:
239.1454
MDL Number:
MFCD29991671
IUPAC Name:
4-(triazol-1-yl)azepane;dihydrochloride
InChI:
InChI=1S/C8H14N4.2ClH/c1-2-8(3-5-9-4-1)12-7-6-10-11-12;;/h6-9H,1-5H2;2*1H
InChI Key:
JGCNQYQUCYCJMY-UHFFFAOYSA-N
SMILES:
N1CCCC(CC1)n1ccnn1.Cl.Cl
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
239.144g/mol
Monoisotopic Mass:
238.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties