| CAS Number | 1269039-56-6 |
| Catalog Number | AG00J30J |
| Chemical Name | 1-propyl-1H-benzimidazol-5-amine dihydrochloride |
| IUPAC Name | 1-propylbenzimidazol-5-amine;dihydrochloride |
| InChI | InChI=1S/C10H13N3.2ClH/c1-2-5-13-7-12-9-6-8(11)3-4-10(9)13;;/h3-4,6-7H,2,5,11H2,1H3;2*1H |
| InChI Key | PDSMEKOVVYNPIR-UHFFFAOYSA-N |
| MDL Number | MFCD18483463 |
| Molecular Formula | C10H15Cl2N3 |
| Molecular Weight | 248.1522 |
| SMILES | N1=CN(C2=CC=C(N)C=C12)CCC.Cl.Cl |
| Synonyms | 1-PROPYL-1H-BENZIMIDAZOL-5-AMINE DIHYDROCHLORIDE,
1269039-56-6,
ZX-CM011077,
MFCD18483463,
AKOS027426286,
MCULE-6134382768,
A-7066,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.151g/mol |
| Monoisotopic Mass | 247.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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