N-Methyl-(7-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methylamine
Basic information
- CAS
886851-54-3- Standard SMILES
CNCc1sc(Br)c2c1OCCO2- InChIKey
FJHBRYOEMIQSPC-UHFFFAOYSA-N- Molecular formula
- C8H10BrNO2S
- Average molar mass
- 264.14 g/mol
- Monoisotopic mass
- 262.96156
Names & identifiers
- Preferred name
- N-Methyl-(7-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methylamine
- IUPAC
- 1-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methylmethanamine
- English name
- N-Methyl-5-(aminomethyl)-7-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine 97
- Molecular formula
- C8H10BrNO2S
- Molecular weight
- 264.14
Names & synonyms
886851-54-3N-Methyl-(7-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methylamineN-Methyl-5-(aminomethyl)-7-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine1-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methylmethanamine1-(7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-methylmethanamineThieno[3,4-b]-1,4-dioxin-5-methanamine,7-bromo-2,3-dihydro-N-methyl-DTXSID30594644MFCD08690308SBB102766({7-bromo-2H,3H-thieno[3,4-b][1,4]dioxin-5-yl}methyl)(methyl)amineMS-22049DB-078126
Show more names
Thieno[3,4-b]-1,4-dioxin-5-methanamine, 7-bromo-2,3-dihydro-N-methyl-N-Methyl-5-(aminomethyl)-7-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine 97N-Methyl-5-(aminomethyl)-7-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine 97%
CS-0458528[(7-bromo(2H,3H-thiopheno[4,3-e]1,4-dioxan-5-yl))methyl]methylamine
Database identifiers
- CAS
886851-54-3- PubChem CID
- 18525892
- DTXSID
DTXSID30594644
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 327.4 · 327.4±42.0 °C(Predicted)
- Density
- 1.594 · 1.594±0.06 g/cm3(Predicted)
- pka
- 7.6 · 7.60±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P301+P330+P331
- Hazard Codes
- C
- Hazard Note
- Corrosive
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- Hazard statements
- H314
- Precautionary statements
- P260-P280-P301+P330+P331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…