(2-Bromo-benzyl)-diethyl-amine
Basic information
- CAS
91428-19-2- Standard SMILES
CCN(CC)Cc1ccccc1Br- InChIKey
UWEZDHCFQTZVMZ-UHFFFAOYSA-N- Molecular formula
- C11H16BrN
- Average molar mass
- 242.16 g/mol
- Monoisotopic mass
- 241.04661
Names & identifiers
- Preferred name
- (2-Bromo-benzyl)-diethyl-amine
- IUPAC
- N-[(2-bromophenyl)methyl]-N-ethylethanamine
- English name
- 2-(Diethylaminomethyl)-bromobenzene
- Molecular formula
- C11H16BrN
- Molecular weight
- 242.16
Names & synonyms
91428-19-2(2-Bromo-benzyl)-diethyl-amineDTXSID50435363RefChem:205833DTXCID50386189N-(2-bromobenzyl)-N-ethylethanamineN-[(2-bromophenyl)methyl]-N-ethylethanamine(2-Bromobenzyl)-diethylamineMFCD08276026N-[(2-bromophenyl)methyl]-N-ethyl-ethanamineSCHEMBL4049148UWEZDHCFQTZVMZ-UHFFFAOYSA-N
Show more names
2-(Diethylaminomethyl)-bromobenzeneBenzenemethanamine, 2-bromo-N,N-diethyl-
2-(diethylaminomethyl)phenyl bromideAKOS009027433N10121
Database identifiers
- CAS
91428-19-2- PubChem CID
- 10083076
- DTXSID
DTXSID50435363
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 130 · 130-134 °C(Press: 17 Torr)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- pka
- 9.29 · 9.29±0.25(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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