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

CAS: 82413-63-6 Cat. No.: B301411 Formule: C₁₂H₁₅NO₂ Poids moléculaire: 205.25 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488194013

Sourires canoniques

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

Isomères SMILES

C1COCCN1CC2=CC=C(C=C2)C=O

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture Sensitive；Air Sensitive
• Point de fusion (°C): 252-255℃
• Poids moléculaire: 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