Home Other Building Blocks 2-(1,4-diazepan-1-yl)-1H-1,3-benzodiazole dihydrochloride

2-(1,4-diazepan-1-yl)-1H-1,3-benzodiazole dihydrochloride

CAS No.:
1240526-56-0
Catalog Number:
AG01A930
Molecular Formula:
C12H18Cl2N4
Molecular Weight:
289.2041
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Product Description
Catalog Number:
AG01A930
Chemical Name:
2-(1,4-diazepan-1-yl)-1H-1,3-benzodiazole dihydrochloride
CAS Number:
1240526-56-0
Molecular Formula:
C12H18Cl2N4
Molecular Weight:
289.2041
MDL Number:
MFCD16547618
IUPAC Name:
2-(1,4-diazepan-1-yl)-1H-benzimidazole;dihydrochloride
InChI:
InChI=1S/C12H16N4.2ClH/c1-2-5-11-10(4-1)14-12(15-11)16-8-3-6-13-7-9-16;;/h1-2,4-5,13H,3,6-9H2,(H,14,15);2*1H
InChI Key:
KKBCIPBOJYKKGX-UHFFFAOYSA-N
SMILES:
C1NCCN(CC1)c1nc2c([nH]1)cccc2.Cl.Cl
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.091g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
289.204g/mol
Monoisotopic Mass:
288.091g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties