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N-Boc 4-Bromo-N-methylaniline - 98%, high purity , CAS No.639520-70-0
Discover N-Boc 4-Bromo-N-methylaniline by Aladdin Scientific in 98% for only $1,175.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
639520-70-0 | tert-Butyl (4-bromophenyl)(methyl)carbamate | N-BOC 4-Bromo-N-methylaniline | tert-butyl N-(4-bromophenyl)-N-methylcarbamate | tert-Butyl (4-bromophenyl)methylcarbamate | (4-Bromo-phenyl)-methyl-carbamic acid tert-butyl ester | MFCD12913712 | tert-Butyl(4
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylcarbamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Phenylcarbamic acid esters
Alternative Parents
Bromobenzenes Aryl bromides Carbamate esters Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylcarbamic acid ester - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carbamic acid ester - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
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 N-(4-bromophenyl)-N-methylcarbamate
INCHI
InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14(4)10-7-5-9(13)6-8-10/h5-8H,1-4H3
InChIKey
MUCSVQRHNPYUIE-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N(C)C1=CC=C(C=C1)Br
Isomeric SMILES
CC(C)(C)OC(=O)N(C)C1=CC=C(C=C1)Br
Molecular Weight
286.2
Reaxy-Rn
9697905
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9697905&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
286.160 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
285.036 Da
Monoisotopic Mass
285.036 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
242.000
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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