(S)-(-)-2-Amino-1,1-diphenyl-1-propanol - ≥99% , CAS No.78603-91-5

CAS: 78603-91-5 Cat. No.: A102250 Molecular Weight: 227.3 Beilstein Registry Number: 3052863 EC Number: 622-109-8

GRADE & PURITY ≥99%

Synonyms

AC-22556 | (S)-2-Amino-1,1-diphenyl-1-propanol | (2S)-2-amino-1,1-diphenylpropan-1-ol | DS-13396 | SCHEMBL2034432 | (S)-(-)-2-Amino-1,1-diphenyl-1-propanol, 99% | (2S)-2-Amino-1,1-diphenyl-1-propanol | DTXSID50350522 | (S)-2-amino-1,1-diphenylpropan-1-ol

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AC-22556 | (S)-2-Amino-1, 1-diphenyl-1-propanol | (2S)-2-amino-1, 1-diphenylpropan-1-ol | DS-13396 | SCHEMBL2034432 | (S)-(-)-2-Amino-1, 1-diphenyl-1-propanol, 99% | (2S)-2-Amino-1, 1-diphenyl-1-propanol | DTXSID50350522 | (S)-2-amino-1, 1-diphenylpropan-1-ol

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488191061
• Canonical Smiles: CC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N
• IUPAC Name: (2S)-2-amino-1,1-diphenylpropan-1-ol
• InChIKey: FMBMNSFOFOAIMZ-LBPRGKRZSA-N
• INCHI: 1S/C15H17NO/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,17H,16H2,1H3/t12-/m0/s1
• Isomeric SMILES: C[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N
• WGK Germany: 3
• Molecular Weight: 227.3
• Beilstein: 3052863
• Reaxy-Rn: 2726318
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2726318&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Amphetamines and derivatives Phenylpropanes Aralkylamines Tertiary alcohols 1,2-aminoalcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Amphetamine or derivatives - Phenylpropane - Aralkylamine - Tertiary alcohol - 1,2-aminoalcohol - Aromatic alcohol - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 100-102°C
• Molecular Weight: 227.300 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.131 Da
• Monoisotopic Mass: 227.131 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 211.000
• 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