4-Ethoxybenzylamine - ≥98% , CAS No.6850-60-8

CAS: 6850-60-8 Cat. No.: E186012 Summenformel: C₉H₁₃NO Molekulargewicht: 151.21 EG-Nummer: 821-208-5

GRADE & PURITY ≥98%

Synonyms

Oprea1_569126 | DS-4559 | FT-0677956 | 4-ethoxybenzylamine | 4-Ethoxy-benzylamine | STK500975 | AKOS000131646 | 4-ethyloxybenzylamine | MFCD02225920 | SCHEMBL745742 | EN300-33080 | (4-ethoxyphenyl)methanamine | 1-(4-ethoxyphenyl)methanamine | 4-Ethoxybenz

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

Oprea1_569126 | DS-4559 | FT-0677956 | 4-ethoxybenzylamine | 4-Ethoxy-benzylamine | STK500975 | AKOS000131646 | 4-ethyloxybenzylamine | MFCD02225920 | SCHEMBL745742 | EN300-33080 | (4-ethoxyphenyl)methanamine | 1-(4-ethoxyphenyl)methanamine | 4-Ethoxybenz

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508809332
• Kanonisches Lächeln: CCOC1=CC=C(C=C1)CN
• IUPAC Name: (4-ethoxyphenyl)methanamine
• InChIKey: USTCFIRCUNVNNM-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7,10H2,1H3
• Isomere SMILES: CCOC1=CC=C(C=C1)CN
• Molekulargewicht: 151.21
• Reaxy-Rn: 2802684
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802684&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: Phenoxy compounds Phenol ethers Benzylamines Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Ether - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Amine - Primary 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: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 151.210 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.1 Da
• Monoisotopic Mass: 151.1 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 97.700
• 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