(4-Benzyl-2-morpholinyl)methanamine - ≥98% , CAS No.110859-47-7

CAS: 110859-47-7 Cat. No.: B179409 Summenformel: C₁₂H₁₈N₂O Molekulargewicht: 206.3 EG-Nummer: 823-389-6

GRADE & PURITY ≥98%

Synonyms

SS-4839 | SY004266 | (4-BENZYL-2-MORPHOLINYL)METHANAMINE | AMY202100009 | C-(4-BENZYL-MORPHOLIN-2-YL)-METHYLAMINE | rac-2-(aminomethyl)-4-benzylmorpholine | rac-2-(aminomethyl)-4-benzyl-morpholine | [4-(phenylmethyl)-2-morpholinyl]methanamine | (S)-4-Benz

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

SS-4839 | SY004266 | (4-BENZYL-2-MORPHOLINYL)METHANAMINE | AMY202100009 | C-(4-BENZYL-MORPHOLIN-2-YL)-METHYLAMINE | rac-2-(aminomethyl)-4-benzylmorpholine | rac-2-(aminomethyl)-4-benzyl-morpholine | [4-(phenylmethyl)-2-morpholinyl]methanamine | (S)-4-Benz

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528753050

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528753050

Kanonisches Lächeln

C1COC(CN1CC2=CC=CC=C2)CN

IUPAC Name

(4-benzylmorpholin-2-yl)methanamine

InChIKey

CKZVBXBEDDAEFE-UHFFFAOYSA-N

INCHI

1S/C12H18N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2

Isomere SMILES

C1COC(CN1CC2=CC=CC=C2)CN

Molekulargewicht

206.3

Reaxy-Rn

3651133

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3651133&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 Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Morpholine - Oxazinane - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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

Zugehörige Ziele (nicht menschlich)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 206.280 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 206.142 Da
• Monoisotopic Mass: 206.142 Da
• Topological Polar Surface Area: 38.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1