Basic information
- CAS
1427378-77-5- Standard SMILES
Cl.Cl.Cn1nc(-c2ccccc2)nc1CCN- InChIKey
JJLAZAAKEQGJHK-UHFFFAOYSA-N- Molecular formula
- C11H16Cl2N4
- Average molar mass
- 275.17 g/mol
- Monoisotopic mass
- 274.0752019
Names & identifiers
- Preferred name
- 2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)ethan-1-amine dihydrochloride
- IUPAC
- 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
- English name
- 2-(1-Methyl-3-phenyl-1h-1,2,4-triazol-5-yl)ethan-1-amine dihydrochloride
- Molecular formula
- C11H15ClN4
- Molecular weight
- 238.72
Names & synonyms
2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)ethan-1-amine dihydrochloride1427378-77-52-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochlorideDTXSID201375745CHC37877CS-0225284EN300-123304Z16960918491H-1,2,4-Triazole-5-ethanamine, 1-methyl-3-phenyl-, hydrochloride (1:2)2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)ethan-1-aminedihydrochloride
Database identifiers
- CAS
1427378-77-5- PubChem CID
- 71757724
- DTXSID
DTXSID201375745
Properties
Computed structural properties
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
A2B Chem LLC[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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