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N,N-Diethyl 4-aminobenzamide - 98%, high purity , CAS No.51207-85-3
Basic Description
Synonyms
4-Amino-N,N-diethylbenzamide | 51207-85-3 | N,N-Diethyl 4-aminobenzamide | Benzamide, 4-amino-N,N-diethyl- | 4-Amino-N,N-diethyl-benzamide | MFCD00461426 | p-Amino-N,N-diethylbenzamide | MLS001004526 | SCHEMBL3081053 | CHEMBL1896630 | 4-Amino-N,N-diethylbenzamide # | DTXSID103
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Aminobenzoic acids and derivatives
Direct Parent
Aminobenzamides
Alternative Parents
Benzamides Benzoyl derivatives Aniline and substituted anilines Tertiary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminobenzamide - Benzamide - Benzoyl - Aniline or substituted anilines - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-amino-N,N-diethylbenzamide
INCHI
InChI=1S/C11H16N2O/c1-3-13(4-2)11(14)9-5-7-10(12)8-6-9/h5-8H,3-4,12H2,1-2H3
InChIKey
RNVOPVJRSRXPSX-UHFFFAOYSA-N
Smiles
CCN(CC)C(=O)C1=CC=C(C=C1)N
Isomeric SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)N
Molecular Weight
192.3
Reaxy-Rn
2804353
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2804353&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
192.260 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
192.126 Da
Monoisotopic Mass
192.126 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
182.000
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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