(-)-cis-2-Benzylaminocyclohexanemethanol - ≥98% , CAS No.71581-93-6

CAS: 71581-93-6 Cat. No.: C153309 Formula: C₁₄H₂₁NO Peso molecolare: 219.33 Numero EC: 623-138-9

QUALITÀ & PUREZZA ≥98%

Synonyms

Cyclohexanemethanol,2-[(phenylmethyl)amino]-,(1S,2R)-|cis-(1S,2R)-(-)-2-(Benzylamino)cyclohexanemethanol|[(1S,2R)-2-(benzylamino)cyclohexyl]methanol|(-)-cis-2-Benzylaminocyclohexanemethanol|cis-(1s,2r)-(-)-2-benzylaminocyclohexanemethanol|((1S,2R)-2-(Benzylamino)cyclohexyl)methanol|(-)-N-Benzyl-cis-2-hydroxymethylcyclohexylamine

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

Cyclohexanemethanol,2-[(phenylmethyl)amino]-,(1S,2R)- | cis-(1S,2R)-(-)-2-(Benzylamino)cyclohexanemethanol | [(1S,2R)-2-(benzylamino)cyclohexyl]methanol | (-)-cis-2-Benzylaminocyclohexanemethanol | cis-(1s,2r)-(-)-2-benzylaminocyclohexanemethanol | ((1S,2R)-2-(Benzylamino)cyclohexyl)methanol | (-)-N-Benzyl-cis-2-hydroxymethylcyclohexylami Mostra altro

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1CCC(C(C1)CO)NCC2=CC=CC=C2

IUPAC Name

[(1S,2R)-2-(benzylamino)cyclohexyl]methanol

InChIKey

BRQFIORUNWWNBM-ZIAGYGMSSA-N

INCHI

1S/C14H21NO/c16-11-13-8-4-5-9-14(13)15-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m1/s1

Isomeri SMILES

C1CC[C@H]([C@H](C1)CO)NCC2=CC=CC=C2

WGK Germania

3

Peso molecolare

219.33

Reaxy-Rn

13464967

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13464967&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Cyclohexylamines Aralkylamines 1,3-aminoalcohols Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Cyclohexylamine - Aralkylamine - 1,3-aminoalcohol - Secondary amine - Secondary aliphatic amine - Alcohol - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Rotazione specifica [α]: -24° (C=1,MeOH)
• Punto di fusione (°C): 68 °C
• Peso molecolare: 219.320 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 219.162 Da
• Monoisotopic Mass: 219.162 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 189.000
• 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