Benzylamine - AR, ≥99% , CAS No.100-46-9

CAS: 100-46-9 Cat. No.: B108477 Summenformel: C₇H₉N Molekulargewicht: 107.15 Beilstein Registry Number: 741984 EG-Nummer: 202-854-1

GRADE & PURITY AR, ≥99%

Synonyms

NSC 8046 | ω-Aminotoluene | Benzylamine | N-Benzylamine | Phenylmethanamine | α-Aminotoluene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Übersicht

Benzylamine undergoes oxidative deamination reaction catalyzed by benzylamine oxidase and monoamine oxidase type B.
Benzylamine was used in modification of alkanethiol monolayers via amide and ester formation reactions for attachment onto metal electrodes. It was used as carrier electrolyte for separation of alkali, alkaline earth and ammonium cations in water samples by capillary electrophoresis with indirect UV detection. It was used in synthesis of cross-linked porous copolymer supports based on N-(p-vinylbenzoyl)-2-methylalanine, styrene and divinylbenzene.

Specifications

Synonyme

NSC 8046 | ω-Aminotoluene | Benzylamine | N-Benzylamine | Phenylmethanamine | α-Aminotoluene

Spezifikationen & Reinheit

AR, ≥99%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

AR

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

508816351

Kanonisches Lächeln

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

Isomere SMILES

C1=CC=C(C=C1)CN

WGK Deutschland

1

RTECS

DP1488500

UN-Nummer

2735

Verpackungsgruppe

I

Molekulargewicht

107.15

Beilstein

741984

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
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with water, ethanol, diethyl ether, acetone, benzene and chloroform.
• Empfindlichkeit: Light sensitive.air sensitive
• Brechungsindex: 1.544
• Flammpunkt (°F): 149 °F
• Flammpunkt (°C): 65 °C
• Siedepunkt (°C): 184-185°C
• Schmelzpunkt (°C): 10°C
• Molekulargewicht: 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