The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
1-Boc-4-(2-Bromophenyl)piperazine - 96%, high purity , CAS No.494773-35-2
Discover 1-Boc-4-(2-Bromophenyl)piperazine by Aladdin Scientific in 96% for only $440.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
494773-35-2 | tert-Butyl 4-(2-bromophenyl)piperazine-1-carboxylate | 1-BOC-4-(2-Bromophenyl)piperazine | 4-(2-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER | 4-(2-Bromophenyl)piperazine-1-carboxylic acid tert-butyl ester | SCHEMBL1928396 | DTXSID2058596
Specifications & Purity
≥96%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpiperazines
Alternative Parents
N-arylpiperazines Piperazine carboxylic acids Dialkylarylamines 2-bromoanilines Bromobenzenes Aryl bromides Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Tertiary aliphatic/aromatic amine - 2-bromoaniline - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Tertiary amine - Carbonic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
tert-butyl 4-(2-bromophenyl)piperazine-1-carboxylate
INCHI
InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-7-5-4-6-12(13)16/h4-7H,8-11H2,1-3H3
InChIKey
QEKMJBDSLYRIKY-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2Br
Isomeric SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2Br
Molecular Weight
341.2
Reaxy-Rn
14304276
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14304276&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
341.240 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
340.079 Da
Monoisotopic Mass
340.079 Da
Topological Polar Surface Area
32.800 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
335.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
