N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride - CAS 1855888-97-9
Catalog: |
BB050862 |
Product Name: |
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride |
CAS: |
1855888-97-9 |
Synonyms: |
Benzyl[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]amine dihydrochloride; 1H-1,2,4-Triazole-5-methanamine, 1-ethyl-N-(phenylmethyl)-, hydrochloride (1:2) |
Related CAS: | 1498546-94-3 (free base)
|
IUPAC Name: | N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine;dihydrochloride |
Molecular Weight: | 289.20 |
Molecular Formula: | C12H18Cl2N4 |
Canonical SMILES: | CCN1C(=NC=N1)CNCC2=CC=CC=C2.Cl.Cl |
InChI: | InChI=1S/C12H16N4.2ClH/c1-2-16-12(14-10-15-16)9-13-8-11-6-4-3-5-7-11;;/h3-7,10,13H,2,8-9H2,1H3;2*1H |
InChI Key: | UTZRGHWMHOTRDA-UHFFFAOYSA-N |
Purity: | ≥95% |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.090852 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.090852 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 42.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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