tert-butyl 7-benzyl-2,7-diazaspiro[4.4]nonane-2-carboxylate - ≥97% , CAS No.1177266-41-9

CAS: 1177266-41-9 Cat. No.: T635466 Peso molecular: 316.44 PubChem CID: 67027304

GRADE & PURITY ≥97%

Synonyms

1177266-41-9 | tert-butyl 7-benzyl-2,7-diazaspiro[4.4]nonane-2-carboxylate | 2,7-Diazaspiro[4.4]nonane-2-carboxylic acid, 7-(phenylMethyl)-, 1,1-diMethylethyl ester | SCHEMBL1426231 | CXB26641 | MFCD13184503 | AKOS032961051 | SB21965 | AS-78746 | 7-Benzyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1177266-41-9 | tert-butyl 7-benzyl-2, 7-diazaspiro[4.4]nonane-2-carboxylate | 2, 7-Diazaspiro[4.4]nonane-2-carboxylic acid, 7-(phenylMethyl)-, 1, 1-diMethylethyl ester | SCHEMBL1426231 | CXB26641 | MFCD13184503 | AKOS032961051 | SB21965 | AS-78746 | 7-Benzyl

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC2(C1)CCN(C2)CC3=CC=CC=C3
• IUPAC Name: tert-butyl 7-benzyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
• InChIKey: SLDUJJSRLZDAIX-UHFFFAOYSA-N
• INCHI: 1S/C19H28N2O2/c1-18(2,3)23-17(22)21-12-10-19(15-21)9-11-20(14-19)13-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC2(C1)CCN(C2)CC3=CC=CC=C3
• PubChem CID: 67027304
• Peso molecular: 316.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazaspirononane derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazaspirononane derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Diazaspirononane derivatives
• Alternative Parents: Pyrrolidine carboxylic acids Phenylmethylamines Benzylamines Aralkylamines N-alkylpyrrolidines Carbamate esters Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diazaspirononane - Benzylamine - Phenylmethylamine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diazaspirononane derivatives. These are organic heterocyclic compounds that contain a nine-membered saturated bicyclic moiety, consisting of two aliphatic saturated rings in a spiro-configuration, each of which contain a nitrogen atom. The bicyclic moiety is made up of two nitrogen and seven carbon atoms.
• 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: 316.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 316.215 Da
• Monoisotopic Mass: 316.215 Da
• Topological Polar Surface Area: 32.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 426.000
• 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