1-(3-Methylbenzyl)-1H-1,2,4-triazol-3-amine - CAS 832738-13-3
Catalog: |
BB045800 |
Product Name: |
1-(3-Methylbenzyl)-1H-1,2,4-triazol-3-amine |
CAS: |
832738-13-3 |
Synonyms: |
1-(3-Methyl-benzyl)-1H-[1,2,4]triazol-3-ylamine; 1-[(3-methylphenyl)methyl]-1,2,4-triazole-3-ylamine |
IUPAC Name: | 1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-amine |
Description: | 1-(3-Methylbenzyl)-1H-1,2,4-triazol-3-amine (CAS# 832738-13-3 ) is a useful research chemical. |
Molecular Weight: | 188.23 |
Molecular Formula: | C10H12N4 |
Canonical SMILES: | CC1=CC(=CC=C1)CN2C=NC(=N2)N |
InChI: | InChI=1S/C10H12N4/c1-8-3-2-4-9(5-8)6-14-7-12-10(11)13-14/h2-5,7H,6H2,1H3,(H2,11,13) |
InChI Key: | QHXZHBZRUNBZHH-UHFFFAOYSA-N |
Boiling Point: | 403.8±48.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.1061964 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.1061964 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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