Home Other Building Blocks 1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride

1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride

CAS No.:
1788641-20-2
Catalog Number:
AG01BEHD
Molecular Formula:
C11H19Cl2N3
Molecular Weight:
264.1947
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Product Description
Catalog Number:
AG01BEHD
Chemical Name:
1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CAS Number:
1788641-20-2
Molecular Formula:
C11H19Cl2N3
Molecular Weight:
264.1947
MDL Number:
MFCD28064013
IUPAC Name:
1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride
InChI:
InChI=1S/C11H17N3.2ClH/c1-2-4-11-10(3-1)13-8-14(11)9-5-6-12-7-9;;/h8-9,12H,1-7H2;2*1H
InChI Key:
MUTCRAHYQNMGGZ-UHFFFAOYSA-N
SMILES:
C1NCC(C1)n1cnc2c1CCCC2.Cl.Cl
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.096g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
264.194g/mol
Monoisotopic Mass:
263.096g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties