Aminomethyl polystyrene resin - 200-400 mesh, extent of labeling: 1.5-2.0 mmol/g loading, 2 % cross-linked , CAS No.89551-24-6

CAS: 89551-24-6 Cat. No.: A348464 EC Number: 810-242-6

GRADE & PURITY 200-400 mesh, extent of labeling: 1.5-2.0 mmol/g loading, 2 % cross-linked

Synonyms

Benzyl-d7-amine | NH2Bn | DTXCID201839 | QuadraPure(TM) BZA | a-Aminotoluene | phenylmethanamine | TOLUENE,ALPHA-AMINO | (Phenylmethyl)amine | Benzylamine, analytical standard | Benzylamine, reagent grade | STR00195 | AI3-15299 | benzyl amine | F2190-0388

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Benzyl-d7-amine | NH2Bn | DTXCID201839 | QuadraPure(TM) BZA | a-Aminotoluene | phenylmethanamine | TOLUENE, ALPHA-AMINO | (Phenylmethyl)amine | Benzylamine, analytical standard | Benzylamine, reagent grade | STR00195 | AI3-15299 | benzyl amine | F2190-0388

Specifications & Purity

200-400 mesh, extent of labeling: 1.5-2.0 mmol/g loading, 2 % cross-linked

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Names and Identifiers

• Pubchem Sid: 488180466
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180466
• Canonical Smiles: C1=CC=C(C=C1)CN
• IUPAC Name: phenylmethanamine
• InChIKey: WGQKYBSKWIADBV-UHFFFAOYSA-N
• INCHI: 1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
• Isomeric SMILES: C1=CC=C(C=C1)CN
• Reaxy-Rn: 741984
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741984&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• External Descriptors: aralkylamine - primary amine

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)

F2 Tclin Thrombin (11687 Activities)

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PRSS1 Tclin Trypsin I (2306 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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CASP3 Tchem Caspase-3 (3632 Activities)

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AOC1 Tchem Diamine oxidase (68 Activities)

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PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

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CASP7 Tchem Caspase-7 (3146 Activities)

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SK-BR-3 (5175 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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DNA (187 Activities)

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LOXL2 Tchem Lysyl oxidase homolog 2 (834 Activities)

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Associated Targets(non-human)

Trypsin (394 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

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AOC3 Amine oxidase, copper containing (44 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Haemophilus influenzae (8812 Activities)

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Bacillus subtilis (32866 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Bacillus cereus (7522 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Slc22a6 Solute carrier family 22 member 6 (141 Activities)

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Bacillus anthracis (2936 Activities)

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Grin1 Glutamate NMDA receptor (6467 Activities)

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Adra2c Adrenergic receptor alpha-2 (3313 Activities)

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Maob Monoamine oxidase (439 Activities)

Discover Target: Maob

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 107.150 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 107.073 Da
• Monoisotopic Mass: 107.073 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 55.400
• 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

References

1. Chuncheng Lin, Jiamin Zhou, Zhangfan Zheng, Jinzhu Chen.  (2022)  An efficient approach to biomass-based tertiary amines by direct and consecutive reductive amination of furfural.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2022.04.016]