tert-Butyl (4-((3-bromobenzyl)amino)-4-oxobutyl)carbamate
Basic information
- CAS
1671088-98-4- Standard SMILES
CC(C)(C)OC(=O)NCCCC(=O)NCc1cccc(Br)c1- InChIKey
ZPLOXOJSYDFDFD-UHFFFAOYSA-N- Molecular formula
- C16H23BrN2O3
- Average molar mass
- 371.27 g/mol
- Monoisotopic mass
- 370.08921
Names & identifiers
- Preferred name
- tert-Butyl (4-((3-bromobenzyl)amino)-4-oxobutyl)carbamate
- IUPAC
- tert-butyl N-[4-[(3-bromophenyl)methylamino]-4-oxobutyl]carbamate
- English name
- tert-Butyl (4-((3-bromobenzyl)amino)-4-oxobutyl)carbamate
- Molecular formula
- C16H23BrN2O3
- Molecular weight
- 371.27
Names & synonyms
tert-Butyl (4-((3-bromobenzyl)amino)-4-oxobutyl)carbamate1671088-98-4MFCD30502869tert-butyl N-[4-[(3-bromophenyl)methylamino]-4-oxobutyl]carbamateAKOS030632846DS-19539CS-0162298C73222F053916tert-Butyl(4-((3-bromobenzyl)amino)-4-oxobutyl)carbamatetert-butyl N-[4-[(3-bromophenyl)methylamino]-4-oxo-butyl]carbamateCarbamic acid, N-[4-[[(3-bromophenyl)methyl]amino]-4-oxobutyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1671088-98-4- PubChem CID
- 122404773
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 547 · 547.0±40.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.69 · 12.69±0.46(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
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Related reactions
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Compound notes
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