2-[[(5-Methyl-1H-imidazol-4-yl)methyl]sulphanyl]ethanamine Dihydrobromide
Basic information
- CAS
38603-73-5- Standard SMILES
Br.Br.Cc1[nH]cnc1CSCCN- InChIKey
QMIPZFMBNNHUHG-UHFFFAOYSA-N- Molecular formula
- C7H15Br2N3S
- Average molar mass
- 333.09 g/mol
- Monoisotopic mass
- 330.93534
Names & identifiers
- Preferred name
- 2-[[(5-Methyl-1H-imidazol-4-yl)methyl]sulphanyl]ethanamine Dihydrobromide
- IUPAC
- 2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine;dihydrobromide
- English name
- 4-[(2-Aminoethyl)thiomethyl]-5-methylimidazole dihydrobromide
- Molecular formula
- C7H15Br2N3S
- Molecular weight
- 333.0871
Names & synonyms
38603-73-54-methyl-5-[(2-aminoethyl)thiomethyl)imidazole dihydrobromide4-methyl-5-[(2-aminoethyl)thiomethyl]imidazole dihydrobromideCimetidine EP Impurity J 2HBrSCHEMBL11190708SCHEMBL11311978QMIPZFMBNNHUHG-UHFFFAOYSA-N2-[[(5-Methyl-1H-imidazol-4-yl)methyl]sulphanyl]ethanamine DihydrobromideCID 124096414-methyl-5-[(2-aminoethyl) thiomethyl]imidazole dihydrobromide2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine;dihydrobromideCimetidine EP Impurity J
Show more names
2-[[(5-Methyl-1H-imidazol-4-yl)methCimetidine Hydrochloride Impurity JCimetidine Hydrochloride EP Impurity JCimetidine Impurity J as DihydrobromideCimetidine EP impurities J DIHYDROBROMIDECimetidine EP Impurity J as Dihydrobromide4-[(2-Aminoethyl)thiomethyl]-5-methylimidazole dihydrobromide
Database identifiers
- CAS
38603-73-5- PubChem CID
- 12409641
- EC Number
- 641-502-5
Properties
Computed structural properties
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 194 ℃ · 194℃ (ethanol )
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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