1-(4-Chlorobenzyl)-1H-1,2,4-triazol-3-amine - CAS 147159-33-9
Catalog: |
BB045802 |
Product Name: |
1-(4-Chlorobenzyl)-1H-1,2,4-triazol-3-amine |
CAS: |
147159-33-9 |
Synonyms: |
1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine; 1-(4-Chloro-benzyl)-1H-[1,2,4]triazol-3-ylamine; 1-(4-Chloro-benzyl)-1H-[1,2,4]triazol-3-ylamine |
IUPAC Name: | 1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-amine |
Description: | 1-(4-Chlorobenzyl)-1H-1,2,4-triazol-3-amine (CAS# 147159-33-9 ) is a useful research chemical. |
Molecular Weight: | 208.65 |
Molecular Formula: | C9H9ClN4 |
Canonical SMILES: | C1=CC(=CC=C1CN2C=NC(=N2)N)Cl |
InChI: | InChI=1S/C9H9ClN4/c10-8-3-1-7(2-4-8)5-14-6-12-9(11)13-14/h1-4,6H,5H2,(H2,11,13) |
InChI Key: | WXDJXOOKDYDYGW-UHFFFAOYSA-N |
Boiling Point: | 424.1±47.0 ℃ at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Appearance: | Powder |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.051574 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.051574 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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