(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol - ≥98%(HPLC) , CAS No.78603-95-9

CAS: 78603-95-9 Cat. No.: I137368 Peso molecular: 255.35 Número EC: 624-860-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

FT-0771462 | LNQVZZGGOZBOQS-INIZCTEOSA-N | (S)-(-)-2-amino-3-methyl-1,1-diphenylbutan-1-ol | AMY13866 | MFCD01318248 | (S)-2-Amino-3-methyl-1,1-diphenyl-butan-1-ol | (S)-2-amino-3-methyl-1,1-diphenylbutan-1-ol | S-2-Amino-3-methyl-1,1-diphenylbutan-1-ol |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0771462 | LNQVZZGGOZBOQS-INIZCTEOSA-N | (S)-(-)-2-amino-3-methyl-1, 1-diphenylbutan-1-ol | AMY13866 | MFCD01318248 | (S)-2-Amino-3-methyl-1, 1-diphenyl-butan-1-ol | (S)-2-amino-3-methyl-1, 1-diphenylbutan-1-ol | S-2-Amino-3-methyl-1, 1-diphenylbutan-1-ol |

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504760291
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760291
• Sonrisas canónicas: CC(C)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N
• IUPAC Name: (2S)-2-amino-3-methyl-1,1-diphenylbutan-1-ol
• InChIKey: LNQVZZGGOZBOQS-INIZCTEOSA-N
• INCHI: 1S/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3/t16-/m0/s1
• Isómeros SMILES: CC(C)[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N
• WGK Alemania: 3
• Peso molecular: 255.35
• Reaxy-Rn: 2979135
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2979135&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aralkylamines Tertiary alcohols 1,2-aminoalcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - Tertiary alcohol - 1,2-aminoalcohol - Organic nitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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
• Rotación específica [α]: -142° (C=1,CHCl3)
• Punto de fusión (°C): 95-99°C
• Peso molecular: 255.350 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 255.162 Da
• Monoisotopic Mass: 255.162 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 246.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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