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

CAS: 82413-63-6 Cat. No.: B301411 Fórmula: C₁₂H₁₅NO₂ Peso molecular: 205.25 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488194013
• Sonrisas canónicas: 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
• Isómeros SMILES: C1COCCN1CC2=CC=C(C=C2)C=O
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive；Air Sensitive
• Punto de fusión (°C): 252-255℃
• Peso molecular: 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