(1S,2S)-2-(Diphenylphosphino)cyclohexylamine - ≥97% , CAS No.452304-63-1

CAS: 452304-63-1 Cat. No.: S115644 Molecular Weight: 283.35 EC Number: 687-064-9 PubChem CID: 11166389

GRADE & PURITY ≥97%

Synonyms

MFCD16876055 | (1S,2S)-2-(Diphenylphosphino)-1-aminocyclohexane,min. 97% | F20619 | DTXSID80457457 | CTA30463 | (1S,2S)-2-diphenylphosphanylcyclohexan-1-amine | (1S,2S)-2-(Diphenylphosphanyl)cyclohexan-1-amine | (1S,2S)-2-(Diphenylphosphino)-1-aminocycloh

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD16876055 | (1S, 2S)-2-(Diphenylphosphino)-1-aminocyclohexane, min. 97% | F20619 | DTXSID80457457 | CTA30463 | (1S, 2S)-2-diphenylphosphanylcyclohexan-1-amine | (1S, 2S)-2-(Diphenylphosphanyl)cyclohexan-1-amine | (1S, 2S)-2-(Diphenylphosphino)-1-aminocycloh

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CCC(C(C1)N)P(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: (1S,2S)-2-diphenylphosphanylcyclohexan-1-amine
• InChIKey: ZATLZEHZPXYMFE-ROUUACIJSA-N
• INCHI: 1S/C18H22NP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14,19H2/t17-,18-/m0/s1
• Isomeric SMILES: C1CC[C@@H]([C@H](C1)N)P(C2=CC=CC=C2)C3=CC=CC=C3
• WGK Germany: 3
• PubChem CID: 11166389
• Molecular Weight: 283.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Benzene and substituted derivatives Organic phosphines and derivatives Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Benzenoid - Monocyclic benzene moiety - Phosphine - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Melt Point(°C): 51-56°C
• Molecular Weight: 283.300 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 283.149 Da
• Monoisotopic Mass: 283.149 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 263.000
• 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