(S)-NMDPP - ≥98% , CAS No.43077-29-8

CAS: 43077-29-8 Cat. No.: S115637 Peso molecular: 324.45 PubChem CID: 2734569

GRADE & PURITY ≥98%

Synonyms

SC11386 | MFCD00013415 | SCHEMBL6324369 | ((1S,2S,5R)-2-Isopropyl-5-methylcyclohexyl)diphenylphosphine | ((1S,2S,5R)-2-Isopropyl-5-methylcyclohexyl)-diphenylphosphine | [(1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]diphenylphosphane | (+)-NEOMENTHYLDIPHE

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

SC11386 | MFCD00013415 | SCHEMBL6324369 | ((1S, 2S, 5R)-2-Isopropyl-5-methylcyclohexyl)diphenylphosphine | ((1S, 2S, 5R)-2-Isopropyl-5-methylcyclohexyl)-diphenylphosphine | [(1S, 2S, 5R)-5-methyl-2-(propan-2-yl)cyclohexyl]diphenylphosphane | (+)-NEOMENTHYLDIPHE

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1CCC(C(C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C
• IUPAC Name: [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
• InChIKey: BEYDOEXXFGNVRZ-COPCDDAFSA-N
• INCHI: 1S/C22H29P/c1-17(2)21-15-14-18(3)16-22(21)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
• Isómeros SMILES: C[C@@H]1CC[C@H]([C@H](C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C
• PubChem CID: 2734569
• Peso molecular: 324.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Menthane monoterpenoids Benzene and substituted derivatives Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - Benzenoid - Monocyclic benzene moiety - Phosphine - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• 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
• Punto de fusión (°C): 95-99°C
• Peso molecular: 324.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 324.201 Da
• Monoisotopic Mass: 324.201 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 320.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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