3-Bromo-N,N,1-trimethyl-1H-1,2,4-triazol-5-amine dihydrochloride
Basic information
- CAS
1609395-34-7- Standard SMILES
CN(C)c1nc(Br)nn1C.Cl.Cl- InChIKey
GQMDXDAKZOFYGS-UHFFFAOYSA-N- Molecular formula
- C5H11BrCl2N4
- Average molar mass
- 277.98 g/mol
- Monoisotopic mass
- 275.95441
Names & identifiers
- Preferred name
- 3-Bromo-N,N,1-trimethyl-1H-1,2,4-triazol-5-amine dihydrochloride
- IUPAC
- 5-bromo-N,N,2-trimethyl-1,2,4-triazol-3-amine;dihydrochloride
- English name
- 3-bromo-N,N,1-trimethyl-1H-1,2,4-triazol-5-amine dihydrochloride
- Molecular formula
- C5H10BrClN4
- Molecular weight
- 241.52
Names & synonyms
1609395-34-73-Bromo-N,N,1-trimethyl-1H-1,2,4-triazol-5-amine dihydrochlorideMFCD269594755-bromo-N,N,2-trimethyl-1,2,4-triazol-3-amine;dihydrochloride3-Bromo-N,N,1-trimethyl-1H-1,2,4-triazol-5-aminedihydrochlorideC5H11BrCl2N4DTXSID501375849AKOS027426532AT55801BS-40300F3604931H-1,2,4-Triazol-5-amine, 3-bromo-N,N,1-trimethyl-, hydrochloride (1:2)
Show more names
3-Bromo-N,N,1-trimethyl-1H-1,2,4-triazol-5-amine dihydrochloride, AldrichCPR
Database identifiers
- CAS
1609395-34-7- PubChem CID
- 75531003
- DTXSID
DTXSID501375849
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- form
- solid
- InChI
- 1S/C5H9BrN4.2ClH/c1-9(2)5-7-4(6)8-10(5)3;;/h1-3H3;2*1H
- InChIKey
- GQMDXDAKZOFYGS-UHFFFAOYSA-N
- SMILES
- BrC1=NN(C)C(N(C)C)=N1.Cl.Cl
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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