N-[3-(Aminomethyl)phenyl]acetamide hydrochloride - ≥95% , CAS No.238428-27-8

CAS: 238428-27-8 Cat. No.: N300619 Molecular Weight: 200.67 EC Number: 813-187-6

GRADE & PURITY ≥95%

Synonyms

J-510788 | N-[3-(aminomethyl)phenyl]acetamide HCl | n-[3-(aminomethyl)phenyl]acetamidehydrochloride | N-(3-(Aminomethyl)phenyl)acetamide hydrochloride | D94946 | 3-(Aminomethyl)acetanilide hydrochloride | W-206858 | PS-8211 | N-[3-(aminomethyl)phenyl]acet

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

J-510788 | N-[3-(aminomethyl)phenyl]acetamide HCl | n-[3-(aminomethyl)phenyl]acetamidehydrochloride | N-(3-(Aminomethyl)phenyl)acetamide hydrochloride | D94946 | 3-(Aminomethyl)acetanilide hydrochloride | W-206858 | PS-8211 | N-[3-(aminomethyl)phenyl]acet

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(=O)NC1=CC=CC(=C1)CN.Cl
• IUPAC Name: N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
• InChIKey: OFLWQYJYQFAMPQ-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O.ClH/c1-7(12)11-9-4-2-3-8(5-9)6-10;/h2-5H,6,10H2,1H3,(H,11,12);1H
• Isomeric SMILES: CC(=O)NC1=CC=CC(=C1)CN.Cl
• Molecular Weight: 200.67
• Reaxy-Rn: 14575971
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14575971&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines Phenylmethylamines Benzylamines Aralkylamines Acetamides Secondary carboxylic acid amides Amino acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - Benzylamine - Phenylmethylamine - N-arylamide - Aralkylamine - Acetamide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Amine - Primary amine - Hydrochloride - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
• 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

• Melt Point(°C): 234-237
• Molecular Weight: 200.660 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.072 Da
• Monoisotopic Mass: 200.072 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 159.000
• 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: 2

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