tert-Butyl 4-((6-bromopyridin-3-yl)methyl)piperazine-1-carboxylate
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Basic information
- CAS
1160923-86-3- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)nc2)CC1- InChIKey
QRCIVOIEHSUADI-UHFFFAOYSA-N- Molecular formula
- C15H22BrN3O2
- Average molar mass
- 356.26 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-((6-bromopyridin-3-yl)methyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[(6-bromo-3-pyridinyl)methyl]piperazine-1-carboxylate
- English name
- tert-Butyl 4-((6-bromopyridin-3-yl)methyl)piperazine-1-carboxylate
- Molecular formula
- C15H22BrN3O2
- Molecular weight
- 356.26
Names & synonyms
1160923-86-3tert-Butyl 4-((6-bromopyridin-3-yl)methyl)piperazine-1-carboxylateMFCD205022961-Boc-4-[(6-bromo-3-pyridyl)methyl]piperazinetert-butyl 4-[(6-bromopyridin-3-yl)methyl]piperazine-1-carboxylate1-Piperazinecarboxylic acid, 4-[(6-bromo-3-pyridinyl)methyl]-, 1,1-dimethylethyl esterC15H22BrN3O24-(6-Bromopyridin-3-ylmethyl)-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL2933302SCHEMBL30042412QRCIVOIEHSUADI-UHFFFAOYSA-NAS-79985
Show more names
186817
DA-47692SY274433CS-0441319E861541-Boc-4-((6-Bromopyridin-3-yl)methyl)piperazineF766296A1-04247tert-Butyl 4((6-bromopyridin-3-yl)methyl)piperazine-1-carboxylate
Database identifiers
- CAS
1160923-86-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 430.5 · 430.5±45.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 5 · 5.00±0.10(Predicted)
- Appearance
- White to off-white Solid
- 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
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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