5-Bromo-7-methyl-1,2,3,4-tetrahydroisoquinoline
Basic information
- CAS
1555656-45-5- Standard SMILES
Cc1cc(Br)c2c(c1)CNCC2- InChIKey
FTLXOFQFQOLFTG-UHFFFAOYSA-N- Molecular formula
- C10H12BrN
- Average molar mass
- 226.11 g/mol
- Monoisotopic mass
- 225.01531
Names & identifiers
- Preferred name
- 5-Bromo-7-methyl-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 5-bromo-7-methyl-1,2,3,4-tetrahydroisoquinoline
- English name
- 5-bromo-7-methyl-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C10H12BrN
- Molecular weight
- 226.11
Names & synonyms
5-bromo-7-methyl-1,2,3,4-tetrahydroisoquinoline1555656-45-5FMC65645AKOS020776248CS-0131482EN300-154893Z1513696363Isoquinoline, 5-bromo-1,2,3,4-tetrahydro-7-methyl-
Database identifiers
- CAS
1555656-45-5- PubChem CID
- 75469725
- EC Number
- 193-927-6
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 309.2 · 309.2±42.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- pka
- 9.09 · 9.09±0.20(Predicted)
- 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
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Compound notes
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