Basic information
- CAS
99858-14-7- Standard SMILES
CCC(C)NCc1ccc(Cl)cc1Cl- InChIKey
VDOLEXDRCMJGEM-UHFFFAOYSA-N- Molecular formula
- C11H15Cl2N
- Average molar mass
- 232.15 g/mol
- Monoisotopic mass
- 231.0581549
Names & identifiers
- Preferred name
- (Butan-2-yl)[(2,4-dichlorophenyl)methyl]amine
- IUPAC
- N-[(2,4-dichlorophenyl)methyl]butan-2-amine
- English name
- butan-2-yl[(2,4-dichlorophenyl)methyl]amine
- Molecular formula
- C11H15Cl2N
- Molecular weight
- 232.15
Names & synonyms
(Butan-2-yl)[(2,4-dichlorophenyl)methyl]amine99858-14-7N-[(2,4-dichlorophenyl)methyl]butan-2-amineN-(2,4-Dichlorobenzyl)butan-2-amineMFCD04573821AKOS000228172AKOS017100621F1967-9820sec-butyl-(2,4-dichloro-benzyl)-aminebutan-2-yl[(2,4-dichlorophenyl)methyl]amineBenzenemethanamine, 2,4-dichloro-N-(1-methylpropyl)-
Database identifiers
- CAS
99858-14-7- PubChem CID
- 4717060
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 287.8 · 287.8±25.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- pka
- 8.65 · 8.65±0.19(Predicted)
Chemistry & industry
Applications
Uses(Butan-2-yl)[(2,4-dichlorophenyl)methyl]amine is a useful reagent in the preparation of secondary amines via selective alkylation of primary amines with alkyl bromides.
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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