(S)-(-)-2-Amino-2'-hydroxy-1,1'-binaphthyl - ≥98% , CAS No.137848-29-4

CAS: 137848-29-4 Cat. No.: A120831 Molecular Weight: 285.35 EC Number: 635-060-2

GRADE & PURITY ≥98%

Synonyms

(S)-2-Amino-2'-hydroxy-1,1'-binaphthyl; (S)-2'-Amino-1,1'-binaphthalen-2-ol | AC-1624 | E87854 | S-(-)-2-Amino-2'-hydroxy-1,1'-binaphtyl | DTXSID30929912 | (S)-(-)-1-(2-Amino-1-naphthyl)-2-naphthol | (S)-2'-Amino-1,1'-binaphthalen-2-ol | (S)-2/'-Amino-1,1

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

(S)-2-Amino-2'-hydroxy-1, 1'-binaphthyl; (S)-2'-Amino-1, 1'-binaphthalen-2-ol | AC-1624 | E87854 | S-(-)-2-Amino-2'-hydroxy-1, 1'-binaphtyl | DTXSID30929912 | (S)-(-)-1-(2-Amino-1-naphthyl)-2-naphthol | (S)-2'-Amino-1, 1'-binaphthalen-2-ol | (S)-2/'-Amino-1, 1

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)N
• IUPAC Name: 1-(2-aminonaphthalen-1-yl)naphthalen-2-ol
• InChIKey: HIXQCPGXQVQHJP-UHFFFAOYSA-N
• INCHI: 1S/C20H15NO/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,22H,21H2
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)N
• WGK Germany: 3
• Molecular Weight: 285.35
• Reaxy-Rn: 6810923
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6810923&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Primary amines Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

• Specific Rotation[α]: -121° (C=1,THF)
• Melt Point(°C): 173°C
• Molecular Weight: 285.300 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 285.115 Da
• Monoisotopic Mass: 285.115 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 384.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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