1-(3,4-Dichlorobenzyl)-1H-1,2,4-triazol-3-amine - CAS 832741-07-8
Catalog: |
BB045805 |
Product Name: |
1-(3,4-Dichlorobenzyl)-1H-1,2,4-triazol-3-amine |
CAS: |
832741-07-8 |
Synonyms: |
1-(3,4-Dichloro-benzyl)-1H-[1,2,4]triazol-3-ylamine; 1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazole-3-ylamine |
IUPAC Name: | 1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine |
Description: | 1-(3,4-Dichlorobenzyl)-1H-1,2,4-triazol-3-amine (CAS# 832741-07-8 ) is a useful research chemical. |
Molecular Weight: | 243.09 |
Molecular Formula: | C9H8Cl2N4 |
Canonical SMILES: | C1=CC(=C(C=C1CN2C=NC(=N2)N)Cl)Cl |
InChI: | InChI=1S/C9H8Cl2N4/c10-7-2-1-6(3-8(7)11)4-15-5-13-9(12)14-15/h1-3,5H,4H2,(H2,12,14) |
InChI Key: | LKKVVLCJEWGQJO-UHFFFAOYSA-N |
Boiling Point: | 452.2±55.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Appearance: | Solid |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0126017 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0126017 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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