(BAC) - ≥99.5% , CAS No.3282-99-3

CAS: 3282-99-3 Cat. No.: B1507114 Molecular Weight: 266.39 EC Number: 221-926-3

GRADE & PURITY ≥99.5%

Storage

Room temperature

Specifications

Specifications & Purity

≥99.5%

Storage

Room temperature

Purity

≥99.5%

Names and Identifiers

• Canonical Smiles: NC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(N)C=C1
• IUPAC Name: 2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-Hexahydro[1~1~,2~1~:2~4~,3~1~-terphenyl]-1~4~,3~4~-diamine
• InChIKey: ZSQIQUAKDNTQOI-UHFFFAOYSA-N
• INCHI: InChI=1S/C18H22N2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11H,1-3,12-13,19-20H2
• Isomeric SMILES: C1CCC(CC1)(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
• Molecular Weight: 266.39
• Reaxy-Rn: 411020
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=411020&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: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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

• Boil Point(°C): 450.918℃ at 760mmHg
• Melt Point(°C): 110℃