4-(2-Aminoethyl)-4H-1,2,4-triazol-3-amine
Basic information
- CAS
387389-62-0- Standard SMILES
NCCn1cnnc1N- InChIKey
ZLNHQZQEMKGHDP-UHFFFAOYSA-N- Molecular formula
- C4H9N5
- Average molar mass
- 127.15 g/mol
Names & identifiers
- Preferred name
- 4-(2-Aminoethyl)-4H-1,2,4-triazol-3-amine
- IUPAC
- 4-(2-aminoethyl)-1,2,4-triazol-3-amine
- English name
- 4H-1,2,4-Triazole-4-ethanamine,3-amino-
- Molecular formula
- C4H9N5
- Molecular weight
- 127.15
Names & synonyms
387389-62-04-(2-Aminoethyl)-4H-1,2,4-triazol-3-amine4H-1,2,4-Triazole-4-ethanamine, 3-amino-AKOS006331060DB-2287985-amino-4-(2-aminoethyl)-1,2,4-triazole4-(2-aminoethyl)-1,2,4-triazol-3-amine4H-1,2,4-Triazole-4-ethanamine,3-amino-4H-1,2,4-Triazole-4-ethanamine,3-amino-(9CI)
Database identifiers
- CAS
387389-62-0
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Boiling point
- 350.3 · 350.3±44.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 8.76 · 8.76±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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