Basic information
- CAS
915922-44-0- Standard SMILES
CNCCCOc1ccc(Br)cc1- InChIKey
NWAAIPDSUXUPRE-UHFFFAOYSA-N- Molecular formula
- C10H14BrNO
- Average molar mass
- 244.13 g/mol
- Monoisotopic mass
- 243.02588
Names & identifiers
- Preferred name
- 3-(4-bromophenoxy)-N-methylpropan-1-amine
- IUPAC
- 3-(4-bromophenoxy)-N-methylpropan-1-amine
- English name
- [3-(4-Bromophenoxy)propyl]methylamine oxalate
- Molecular formula
- C10H14BrNO
- Molecular weight
- 244.13
Names & synonyms
3-(4-bromophenoxy)-N-methylpropan-1-amine915922-44-0MFCD086917843-(4-bromophenoxy)-N-methyl-propan-1-amine[3-(4-BROMOPHENOXY)PROPYL](METHYL)AMINEDTXSID00366951AKOS009272604BS-38683CS-0301768EN300-1087204F3155201-Propanamine, 3-(4-bromophenoxy)-N-methyl-
Show more names
[3-(4-Bromophenoxy)propyl]methylamine oxalate[3-(4-bromophenoxy)propyl]methylamine oxalate(SALTDATA: oxalate)
Database identifiers
- CAS
915922-44-0- PubChem CID
- 2199701
- DTXSID
DTXSID00366951
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 316.4 · 316.4±22.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- pka
- 10.27 · 10.27±0.10(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
Chemistry & industry
Suppliers2 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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