1-Cyclopropyl-N-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]methanamine dihydrochloride - CAS 1855890-88-8
Catalog: |
BB050863 |
Product Name: |
1-Cyclopropyl-N-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]methanamine dihydrochloride |
CAS: |
1855890-88-8 |
Synonyms: |
1H-1,2,4-Triazole-5-methanamine, N-(cyclopropylmethyl)-1-ethyl-, hydrochloride (1:2); (cyclopropylmethyl)[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]amine dihydrochloride |
IUPAC Name: | 1-cyclopropyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine;dihydrochloride |
Molecular Weight: | 253.17 |
Molecular Formula: | C9H18Cl2N4 |
Canonical SMILES: | CCN1C(=NC=N1)CNCC2CC2.Cl.Cl |
InChI: | InChI=1S/C9H16N4.2ClH/c1-2-13-9(11-7-12-13)6-10-5-8-3-4-8;;/h7-8,10H,2-6H2,1H3;2*1H |
InChI Key: | OHSQTCNBQWETLD-UHFFFAOYSA-N |
Purity: | ≥95% |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.090852 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.090852 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 42.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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