3-(1H-1,3-Benzodiazol-1-yl)propan-1-amine Dihydrochloride - CAS 1177324-11-6
Catalog: |
BB073975 |
Product Name: |
3-(1H-1,3-Benzodiazol-1-yl)propan-1-amine Dihydrochloride |
CAS: |
1177324-11-6 |
Synonyms: |
3-(1H-benzimidazol-1-yl)propan-1-amine dihydrochloride; 3-(1H-1,3-benzodiazol-1-yl)propan-1-amine dihydrochloride; 3-(benzimidazol-1-yl)propan-1-amine; dihydrochloride |
IUPAC Name: | 3-(benzimidazol-1-yl)propan-1-aminedihydrochloride |
Molecular Weight: | 321.07 |
Molecular Formula: | C10H13N3·2HCl |
Canonical SMILES: | C1=CC=C2C(=C1)N=CN2CCCN.Cl.Cl |
InChI: | InChI=1S/C10H13N3.2ClH/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h1-2,4-5,8H,3,6-7,11H22*1H |
InChI Key: | VOPTTYFFPRTPKM-UHFFFAOYSA-N |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.0643029 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.0643029 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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