3-Amino-4-methoxybenzamide - ≥98% , CAS No.17481-27-5

CAS: 17481-27-5 Cat. No.: A151420 Molecular Weight: 166.18 EC Number: 241-497-6

GRADE & PURITY ≥98%

Synonyms

(3-Amino-4-methoxybenzoyl)amine | A811693 | DTXSID4066206 | 2,6-Dimethyl-4-hydrobenzaldehyde | D78393 | 3-Amino-p-anisamide | BB 0242902 | HMS2412G19 | AKOS000130720 | MLS000105652 | SDCCGMLS-0006111.P002 | BBL011840 | Cambridge id 5306680 | SMR000102630

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

(3-Amino-4-methoxybenzoyl)amine | A811693 | DTXSID4066206 | 2, 6-Dimethyl-4-hydrobenzaldehyde | D78393 | 3-Amino-p-anisamide | BB 0242902 | HMS2412G19 | AKOS000130720 | MLS000105652 | SDCCGMLS-0006111.P002 | BBL011840 | Cambridge id 5306680 | SMR000102630

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186395
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186395
• Canonical Smiles: COC1=C(C=C(C=C1)C(=O)N)N
• IUPAC Name: 3-amino-4-methoxybenzamide
• InChIKey: INCJNDAQNPWMPZ-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H2,10,11)
• Isomeric SMILES: COC1=C(C=C(C=C1)C(=O)N)N
• Molecular Weight: 166.18
• Reaxy-Rn: 8200704
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8200704&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzamides

• 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: Methoxyanilines Benzamides Aminophenyl ethers Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Primary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzamide - Benzamide - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Ether - Carboxylic acid derivative - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 157 °C
• Molecular Weight: 166.180 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.074 Da
• Monoisotopic Mass: 166.074 Da
• Topological Polar Surface Area: 78.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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