Basic information
- CAS
915707-52-7- Standard SMILES
CN(C)CCCOc1ccccc1Br- InChIKey
QVYOZYDEZRIFFV-UHFFFAOYSA-N- Molecular formula
- C11H16BrNO
- Average molar mass
- 258.15 g/mol
- Monoisotopic mass
- 257.04153
Names & identifiers
- Preferred name
- [3-(2-Bromophenoxy)propyl]dimethylamine
- IUPAC
- 3-(2-bromophenoxy)-N,N-dimethylpropan-1-amine
- English name
- 3-(2-Bromophenoxy)-N,N-dimethylpropylamine
- Molecular formula
- C11H16BrNO
- Molecular weight
- 258.15
Names & synonyms
915707-52-73-(2-bromophenoxy)-N,N-dimethylpropan-1-amine[3-(2-bromophenoxy)propyl]dimethylamine3-(2-BROMOPHENOXY)-N,N-DIMETHYLPROPYLAMINECambridge id 73292373-(2-bromophenoxy)-N,N-dimethyl-propan-1-amineSCHEMBL22837825DTXSID60366871MFCD03718246SBB101976UPCMLD0ENAT5772862:0012-[3-(Dimethylamino)propoxy]bromobenzene
Show more names
3-(2-Bromophenoxy)-N，N-dimethylpropan-1-amine1-Propanamine, 3-(2-bromophenoxy)-N,N-dimethyl-
CS-0457921
Database identifiers
- CAS
915707-52-7- PubChem CID
- 2182909
- DTXSID
DTXSID60366871
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 305.8 · 305.8±22.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 9.3 · 9.30±0.28(Predicted)
- HS Code
- 2922290090 · 2922290090
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
- 2922290090
Chemistry & industry
Suppliers4 total
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
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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