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4-Bromo-N-Z-piperidine - 96%, high purity , CAS No.166953-64-6
Discover 4-Bromo-N-Z-piperidine by Aladdin Scientific in 96% for only $34.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
166953-64-6 | Benzyl 4-bromopiperidine-1-carboxylate | N-CBZ-4-BROMO-PIPERIDINE | BENZYL 4-BROMOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE | 1-Cbz-4-bromopiperidine | 4-Bromo-N-Z-piperidine | MFCD02681990 | 1-Piperidinecarboxylic acid, 4-bromo-, phenylmethyl ester | 4-Bromopip
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyloxycarbonyls
Intermediate Tree Nodes
Not available
Direct Parent
Benzyloxycarbonyls
Alternative Parents
Piperidinecarboxylic acids Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyloxycarbonyl - Piperidinecarboxylic acid - Piperidine - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl bromide - Carbonyl group - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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
Pubchem Sid
488193681
IUPAC Name
benzyl 4-bromopiperidine-1-carboxylate
INCHI
InChI=1S/C13H16BrNO2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey
BFWKSPOSMPKTSV-UHFFFAOYSA-N
Smiles
C1CN(CCC1Br)C(=O)OCC2=CC=CC=C2
Isomeric SMILES
C1CN(CCC1Br)C(=O)OCC2=CC=CC=C2
WGK Germany
3
Molecular Weight
298.18
Reaxy-Rn
9701238
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9701238&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20/D 1.5590 (lit.)
Flash Point(°F)
>230 °F
Flash Point(°C)
>110 °C
Molecular Weight
298.180 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
297.036 Da
Monoisotopic Mass
297.036 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
246.000
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
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A23301216