4-(Morpholinomethyl)Benzaldehyde - ≥95% , CAS No.82413-63-6

CAS: 82413-63-6 Cat. No.: B301411 Summenformel: C₁₂H₁₅NO₂ Molekulargewicht: 205.25 EG-Nummer: 890-529-0

GRADE & PURITY ≥95%

Synonyms

4-(4-morpholinylmethyl)benzaldehyde | 4-(4-Carboxaldehydebenzyl)morpholine | J-513785 | A840324 | 4-[(morpholin-4-yl)methyl]benzaldehyde | DTXSID90383718 | Z1509533223 | MS-22195 | 4-(morpholin-4-ylmethyl)benzaldehyde | AKOS015968484 | 4-morpholin-4-ylmet

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

4-(4-morpholinylmethyl)benzaldehyde | 4-(4-Carboxaldehydebenzyl)morpholine | J-513785 | A840324 | 4-[(morpholin-4-yl)methyl]benzaldehyde | DTXSID90383718 | Z1509533223 | MS-22195 | 4-(morpholin-4-ylmethyl)benzaldehyde | AKOS015968484 | 4-morpholin-4-ylmet

Spezifikationen & Reinheit

≥95%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488194013
• Kanonisches Lächeln: C1COCCN1CC2=CC=C(C=C2)C=O
• IUPAC Name: 4-(morpholin-4-ylmethyl)benzaldehyde
• InChIKey: KMAHWHPUXGNVBN-UHFFFAOYSA-N
• INCHI: 1S/C12H15NO2/c14-10-12-3-1-11(2-4-12)9-13-5-7-15-8-6-13/h1-4,10H,5-9H2
• Isomere SMILES: C1COCCN1CC2=CC=C(C=C2)C=O
• Molekulargewicht: 205.25
• Reaxy-Rn: 10066561
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10066561&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 Benzoyl derivatives Benzaldehydes Aralkylamines Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Aryl-aldehyde - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Amine - Aldehyde - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture Sensitive；Air Sensitive
• Schmelzpunkt (°C): 252-255℃
• Molekulargewicht: 205.250 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 205.11 Da
• Monoisotopic Mass: 205.11 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 194.000
• 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: 1