ethyl 5-amino-1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate - ≥97% , CAS No.911010-88-3

CAS: 911010-88-3 Cat. No.: E638450 Peso molecular: 260.33 PubChem CID: 51358389

GRADE & PURITY ≥97%

Synonyms

AKOS015901279 | Ethyl 5-amino-1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate | Ethyl5-amino-1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate | PS-19138 | ethyl 5-amino-1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate | E86482 | MFCD17215062 | SY311659 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015901279 | Ethyl 5-amino-1-benzyl-1, 2, 3, 6-tetrahydropyridine-4-carboxylate | Ethyl5-amino-1-benzyl-1, 2, 3, 6-tetrahydropyridine-4-carboxylate | PS-19138 | ethyl 5-amino-1-benzyl-3, 6-dihydro-2H-pyridine-4-carboxylate | E86482 | MFCD17215062 | SY311659 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=C(CN(CC1)CC2=CC=CC=C2)N
• IUPAC Name: ethyl 5-amino-1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
• InChIKey: LXFAPROJUMIFNK-UHFFFAOYSA-N
• INCHI: 1S/C15H20N2O2/c1-2-19-15(18)13-8-9-17(11-14(13)16)10-12-6-4-3-5-7-12/h3-7H,2,8-11,16H2,1H3
• Isómeros SMILES: CCOC(=O)C1=C(CN(CC1)CC2=CC=CC=C2)N
• CAS alternativo: 911010-88-3
• PubChem CID: 51358389
• Peso molecular: 260.33

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 Aralkylamines Hydropyridines Vinylogous amides Enoate esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Hydropyridine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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

• Peso molecular: 260.329 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 260.152 Da
• Monoisotopic Mass: 260.152 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 346.000
• 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