(1S,2S)-trans-2-Benzyloxycyclohexylamine - ≥95.5%(GC) , CAS No.216394-07-9

CAS: 216394-07-9 Cat. No.: I168628 Peso molecular: 205.3 Beilstein Registry Number: 8981790 Número EC: 606-811-1

Synonyms

SCHEMBL354312 | (1S,2S)-2-(benzyloxy)cyclohexan-1-amine | (1S,2S)-(+)-2-Benzyloxycyclohexylamine | (1S-trans)-2-(Phenylmethoxy) cyclohexaminetaneamine | (1S,2S)-2-(Benzyloxy)cyclohexanamine | DTXSID10474551 | (1S,2S)-trans-2-Benzyloxycyclohexylamine, 96%

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL354312 | (1S, 2S)-2-(benzyloxy)cyclohexan-1-amine | (1S, 2S)-(+)-2-Benzyloxycyclohexylamine | (1S-trans)-2-(Phenylmethoxy) cyclohexaminetaneamine | (1S, 2S)-2-(Benzyloxy)cyclohexanamine | DTXSID10474551 | (1S, 2S)-trans-2-Benzyloxycyclohexylamine, 96%

Especificaciones y pureza

≥95.5%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: C1CCC(C(C1)N)OCC2=CC=CC=C2
• IUPAC Name: (1S,2S)-2-phenylmethoxycyclohexan-1-amine
• InChIKey: NTHNRYLIXJZHRZ-STQMWFEESA-N
• INCHI: 1S/C13H19NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2/t12-,13-/m0/s1
• Isómeros SMILES: C1CC[C@@H]([C@H](C1)N)OCC2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 205.3
• Beilstein: 8981790
• Reaxy-Rn: 10086699
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10086699&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Cyclohexylamines Dialkyl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Cyclohexylamine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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: 205.300 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 205.147 Da
• Monoisotopic Mass: 205.147 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 177.000
• 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