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1245570-14-2 |
CAS No: 1245570-14-2 Catalog No: AG00HHOS MDL No:
Product Description
Catalog Number:
AG00HHOS
CAS Number:
1245570-14-2
Molecular Formula:
C13H21Cl2N3
Molecular Weight:
290.2319
IUPAC Name:
3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;dihydrochloride
InChI:
InChI=1S/C13H19N3.2ClH/c1-10(2)16-12-7-4-3-6-11(12)15-13(16)8-5-9-14;;/h3-4,6-7,10H,5,8-9,14H2,1-2H3;2*1H
InChI Key:
BFKSMPKEHVQYFO-UHFFFAOYSA-N
SMILES:
NCCCc1nc2c(n1C(C)C)cccc2.Cl.Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.232g/mol
Monoisotopic Mass:
289.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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