1-homopiperazinocarboxilato de bencilo - ≥96% , CAS No.117009-97-9

CAS: 117009-97-9 Cat. No.: B132207 Peso molecular: 234.29 Número EC: 628-611-3

GRADE & PURITY ≥96%

Synonyms

Benzyl 1-homopiperazinecarboxylate, 96% | 1-CBZ-HOMOPIPERIDINE | 1-homopiperazinecarboxylate | AM20020257 | N-Cbz-homopiperazine | [1,4]diazepane-1-carboxylic acid benzyl ester | D70181 | MFCD01863703 | 1-Cbz-homopiperazine | N-Benzyloxycarbonylhomopipera

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

Benzyl 1-homopiperazinecarboxylate, 96% | 1-CBZ-HOMOPIPERIDINE | 1-homopiperazinecarboxylate | AM20020257 | N-Cbz-homopiperazine | [1, 4]diazepane-1-carboxylic acid benzyl ester | D70181 | MFCD01863703 | 1-Cbz-homopiperazine | N-Benzyloxycarbonylhomopipera

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488194850
• Sonrisas canónicas: C1CNCCN(C1)C(=O)OCC2=CC=CC=C2
• IUPAC Name: benzyl 1,4-diazepane-1-carboxylate
• InChIKey: BXDQJVDEALOIQW-UHFFFAOYSA-N
• INCHI: 1S/C13H18N2O2/c16-13(15-9-4-7-14-8-10-15)17-11-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2
• Isómeros SMILES: C1CNCCN(C1)C(=O)OCC2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 234.29
• Reaxy-Rn: 9128752
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9128752&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: 1,4-diazepanes Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - 1,4-diazepane - Diazepane - Carbamic acid ester - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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: light sensitive
• Índice de refracción: n20/D 1.545 (lit.)
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 130°C/0.5mmHg
• Peso molecular: 234.290 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 234.137 Da
• Monoisotopic Mass: 234.137 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 240.000
• 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