(1S,2R)-N1-(tert-Butoxycarbonyl)-1,2-cyclohexanediamine - ≥98% , CAS No.365996-30-1

CAS: 365996-30-1 Cat. No.: S161319 Peso molecular: 214.31 Número EC: 690-960-2

GRADE & PURITY ≥98%

Synonyms

B3483 | cis-2-tert-butoxycarbonylaminocyclohexylamine | AKVIZYGPJIWKOS-BDAKNGLRSA-N | N-Boc-1(S),2(R)-diaminocyclohexane | Tert-butyl [(1S,2R)-2-aminocyclohexyl]carbamate | tert-butyl(1S,2R)-2-aminocyclohexylcarbamate | (1S,2R)-cis-N-Boc-1,2-cyclohexanedi

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

B3483 | cis-2-tert-butoxycarbonylaminocyclohexylamine | AKVIZYGPJIWKOS-BDAKNGLRSA-N | N-Boc-1(S), 2(R)-diaminocyclohexane | Tert-butyl [(1S, 2R)-2-aminocyclohexyl]carbamate | tert-butyl(1S, 2R)-2-aminocyclohexylcarbamate | (1S, 2R)-cis-N-Boc-1, 2-cyclohexanedi

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760552
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760552
• Sonrisas canónicas: CC(C)(C)OC(=O)NC1CCCCC1N
• IUPAC Name: tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate
• InChIKey: AKVIZYGPJIWKOS-BDAKNGLRSA-N
• INCHI: 1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9+/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N
• Peso molecular: 214.31
• Reaxy-Rn: 13495402
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13495402&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Carbamic acid ester - Carbonic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine 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: Air Sensitive,Heat Sensitive
• Rotación específica [α]: -6.0° (C=1,CH2Cl2)
• Punto de inflamación (°C): 149 °C
• Peso molecular: 214.300 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.168 Da
• Monoisotopic Mass: 214.168 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 223.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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