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4-(4-Methoxyphenyl)aniline - 98%, high purity , CAS No.1137-77-5
Discover 4-(4-Methoxyphenyl)aniline by Aladdin Scientific in 98% for only $44.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1137-77-5 | 4-(4-methoxyphenyl)aniline | 4'-Methoxy-[1,1'-biphenyl]-4-amine | 4'-methoxybiphenyl-4-ylamine | 4'-Methoxy-biphenyl-4-ylamine | [1,1'-Biphenyl]-4-amine, 4'-methoxy- | (4'-methoxybiphenyl-4-yl)amine | 4/'-METHOXY-BIPHENYL-4-YLAMINE | 4'-methoxybiphenyl-4-amin
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Aniline and substituted anilines Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenyl - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Ether - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
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
488193143
IUPAC Name
4-(4-methoxyphenyl)aniline
INCHI
InChI=1S/C13H13NO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,14H2,1H3
InChIKey
WGURSKWDHNBQAD-UHFFFAOYSA-N
Smiles
COC1=CC=C(C=C1)C2=CC=C(C=C2)N
Isomeric SMILES
COC1=CC=C(C=C1)C2=CC=C(C=C2)N
Molecular Weight
199.2
Reaxy-Rn
2803481
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803481&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
199.250 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
199.1 Da
Monoisotopic Mass
199.1 Da
Topological Polar Surface Area
35.300 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
179.000
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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