4-Benzoyl benzylamine hydrochloride - ≥97% , CAS No.24095-40-7

CAS: 24095-40-7 Cat. No.: B483113 Molecular Weight: 247.73 EC Number: 674-317-3

GRADE & PURITY ≥97%

Synonyms

FT-0778193 | [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride | FS-5602 | (4-(aminomethyl)phenyl)(phenyl)methanone hydrochloride | 4-Benzoyl benzylamine hydrochloride | (4-(aminomethyl)phenyl)(phenyl)methanone HCl | 4-BENZOYLBENZYLAMINE HCL | AKOS015

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

FT-0778193 | [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride | FS-5602 | (4-(aminomethyl)phenyl)(phenyl)methanone hydrochloride | 4-Benzoyl benzylamine hydrochloride | (4-(aminomethyl)phenyl)(phenyl)methanone HCl | 4-BENZOYLBENZYLAMINE HCL | AKOS015

Specifications & Purity

≥97%

Storage

Store at 2-8°C, 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

• Pubchem Sid: 504761591
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761591
• Canonical Smiles: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CN.Cl
• IUPAC Name: [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride
• InChIKey: XCBRWBLKNAXUAM-UHFFFAOYSA-N
• INCHI: 1S/C14H13NO.ClH/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12;/h1-9H,10,15H2;1H
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CN.Cl
• Alternate CAS: 94341-55-6
• Molecular Weight: 247.73
• Reaxy-Rn: 29151952
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29151952&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Benzylamine - Phenylmethylamine - Aryl ketone - Aralkylamine - Ketone - Amine - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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): 207-208°
• Molecular Weight: 247.720 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 247.076 Da
• Monoisotopic Mass: 247.076 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 225.000
• 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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