Basic information
- CAS
443998-65-0- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Nc2ccc(Br)cc2)CC1- InChIKey
ZDCRNXMZSKCKRF-UHFFFAOYSA-N- Molecular formula
- C16H23BrN2O2
- Average molar mass
- 355.27 g/mol
- Monoisotopic mass
- 354.09429008
Names & identifiers
- Preferred name
- Tert-butyl 4-((4-bromophenyl)amino)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(4-bromoanilino)piperidine-1-carboxylate
- English name
- 1-BOC-4-(4-BROMO-PHENYLAMINO)-PIPERIDINE
- Molecular formula
- C16H23BrN2O2
- Molecular weight
- 355.27
Names & synonyms
tert-Butyl 4-((4-bromophenyl)amino)piperidine-1-carboxylateTert-butyl 4-[(4-bromophenyl)amino]piperidine-1-carboxylateRefChem:893544965-400-8443998-65-01-BOC-4-(4-bromo-phenylamino)-piperidine4-(4-BROMO-PHENYLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERtert-butyl 4-(4-bromoanilino)piperidine-1-carboxylateMFCD07785997SCHEMBL28737274-(4-bromophenyl)amino-1-(tert-butoxycarbonyl)piperidineDTXSID80458909
Show more names
4-(4-bromophenyl) aminoHot selling 1-BOC-4-(4-BROMO-PHENYLAMINO)-PIPERIDINE1-Piperidinecarboxylic acid, 4-[(4-bromophenyl)amino]-,1,1-dimethylethyl esterEstrogenic Hormoneert-butyl4-(4-bromoanilino)piperidine-1-carboxylate1-BOC-4-(4-BROMO-PHENYLAMINO)-PIPERIDINE white powder1-BOC-4-(4-BROMO-PHENYLAMINO)-PIPERIDINE CAS 443998-65-0
ZDCRNXMZSKCKRF-UHFFFAOYSA-NAKOS009845449SB37212SY184309DB-120196CS-0216885N-(4-Bromophenyl)-1-Boc-piperidin-4-amineEN300-64107
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Boiling point
- 439.1 · 439.1±40.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 4.18 · 4.18±0.20(Predicted)
- InChI
- InChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-10-8-14(9-11-19)18-13-6-4-12(17)5-7-13/h4-7,14,18H,8-11H2,1-3H3
- InChIKey
- ZDCRNXMZSKCKRF-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(NC2=CC=C(Br)C=C2)CC1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
Uses1-Boc-4-(4-bromo-phenylamino)-piperidine is a piperidine organic compound, which can be used as a pharmaceutical intermediate for pharmaceutical research and scientific research.
Upstream & downstream products
Upstream raw materials
Related reactions
17 records
Compound notes
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