Home Other Building Blocks 4-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]-2,3,6,7-tetrahydro-1H-azepine dihydrochloride

4-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]-2,3,6,7-tetrahydro-1H-azepine dihydrochloride

CAS No.:
1864052-66-3
Catalog Number:
AG01C18T
Molecular Formula:
C11H20Cl2N4
Molecular Weight:
279.2093
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Product Description
Catalog Number:
AG01C18T
Chemical Name:
4-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]-2,3,6,7-tetrahydro-1H-azepine dihydrochloride
CAS Number:
1864052-66-3
Molecular Formula:
C11H20Cl2N4
Molecular Weight:
279.2093
MDL Number:
MFCD29041324
IUPAC Name:
4-(1-propan-2-yltriazol-4-yl)-2,3,6,7-tetrahydro-1H-azepine;dihydrochloride
InChI:
InChI=1S/C11H18N4.2ClH/c1-9(2)15-8-11(13-14-15)10-4-3-6-12-7-5-10;;/h4,8-9,12H,3,5-7H2,1-2H3;2*1H
InChI Key:
GZUJSXNXMFOSNH-UHFFFAOYSA-N
SMILES:
CC(n1nnc(c1)C1=CCCNCC1)C.Cl.Cl
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.107g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
279.209g/mol
Monoisotopic Mass:
278.107g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties