(1S,2S)-2-Benzylamino-1-cyclohexanol - ≥98%,≥99%(ee) , CAS No.322407-34-1

CAS: 322407-34-1 Cat. No.: S281509 Peso molecular: 205.3

GRADE & PURITY ≥98%,≥99%(ee)

Synonyms

A850195 | AKOS015915168 | Cyclohexanol, 2-[(phenylmethyl)amino]-, (1S,2S)- | XMA40734 | MFCD10566419 | (1S,2S)-2-Benzylamino-1-cyclohexanol hydrochloride | A1-24351 | SCHEMBL697761 | (1S,2S)-2-(benzylamino)cyclohexanol | DS-18432 | (1S,2S)-2-(benzylamino)

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

A850195 | AKOS015915168 | Cyclohexanol, 2-[(phenylmethyl)amino]-, (1S, 2S)- | XMA40734 | MFCD10566419 | (1S, 2S)-2-Benzylamino-1-cyclohexanol hydrochloride | A1-24351 | SCHEMBL697761 | (1S, 2S)-2-(benzylamino)cyclohexanol | DS-18432 | (1S, 2S)-2-(benzylamino)

Especificaciones y pureza

≥98%, ≥99%(ee)

Información jurídica

Sold in collaboration with Daicel for research purposes only.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, 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%, ≥99%(ee)

Nombres e identificadores

• Pubchem Sid: 488196180
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196180
• Sonrisas canónicas: C1CCC(C(C1)NCC2=CC=CC=C2)O
• IUPAC Name: (1S,2S)-2-(benzylamino)cyclohexan-1-ol
• InChIKey: NJNCYFUGUYIMEQ-STQMWFEESA-N
• INCHI: 1S/C13H19NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13-/m0/s1
• Isómeros SMILES: C1CC[C@@H]([C@H](C1)NCC2=CC=CC=C2)O
• Peso molecular: 205.3
• Reaxy-Rn: 3248269
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3248269&ln=

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 Cyclohexylamines Cyclohexanols Aralkylamines Cyclic alcohols and derivatives 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Cyclohexanol - Aralkylamine - Cyclohexylamine - Cyclic alcohol - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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

• Sensibilidad: light sensitive
• Peso molecular: 205.300 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 205.147 Da
• Monoisotopic Mass: 205.147 Da
• Topological Polar Surface Area: 32.299 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