3-Amino-N,N-dimethylbenzamide - ≥97% , CAS No.33322-60-0

CAS: 33322-60-0 Cat. No.: A169643 Molecular Weight: 164.20 EC Number: 808-790-6

GRADE & PURITY ≥97%

Synonyms

3-NH2-C6H4CON(CH3)2 | BB 0246511 | MFCD01168905 | EN300-27136 | m-Amino-N,N-dimethylbenzamide | Z228584848 | F3377-1099 | C15598 | DTXSID00329889 | 6X-9015 | AKOS000111618 | STL068779 | N,N-Dimethyl-3-aminobenzamide | SY168148 | 3-Amino-N,N-dimethylbenzam

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3-NH2-C6H4CON(CH3)2 | BB 0246511 | MFCD01168905 | EN300-27136 | m-Amino-N, N-dimethylbenzamide | Z228584848 | F3377-1099 | C15598 | DTXSID00329889 | 6X-9015 | AKOS000111618 | STL068779 | N, N-Dimethyl-3-aminobenzamide | SY168148 | 3-Amino-N, N-dimethylbenzam

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CN(C)C(=O)C1=CC(=CC=C1)N
• IUPAC Name: 3-amino-N,N-dimethylbenzamide
• InChIKey: LZPLRAXAVPPVSX-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O/c1-11(2)9(12)7-4-3-5-8(10)6-7/h3-6H,10H2,1-2H3
• Isomeric SMILES: CN(C)C(=O)C1=CC(=CC=C1)N
• Molecular Weight: 164.20
• Reaxy-Rn: 2803329
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803329&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: 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 164.200 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.095 Da
• Monoisotopic Mass: 164.095 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 168.000
• 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