Vat Red 10 - ≥95% , CAS No.2379-79-5

CAS: 2379-79-5 Cat. No.: V1047743 분자식: C₂₉H₁₄N₂O₅ 분자량: 470.400 EC 번호: 219-168-3

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

사양 및 순도

≥95%

보관 조건

Room temperature

순수함

≥95%

이름과 식별자

정식 스마일

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C4=NC5=C(O4)C=C6C(=C5)C(=O)C7=CC=CC=C7C6=O)N

IUPAC Name

2-(1-amino-9,10-dioxoanthracen-2-yl)naphtho[2,3-f][1,3]benzoxazole-5,10-dione

InChIKey

RHEVAQGXLUQWBM-UHFFFAOYSA-N

INCHI

1S/C29H14N2O5/c30-24-18(10-9-17-23(24)28(35)16-8-4-3-7-15(16)25(17)32)29-31-21-11-19-20(12-22(21)36-29)27(34)14-6-2-1-5-13(14)26(19)33/h1-12H,30H2

분자량

470.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Benzoxazoles Aryl ketones Vinylogous amides Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Benzoxazole - Aryl ketone - Azole - Oxazole - Vinylogous amide - Heteroaromatic compound - Ketone - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Amine - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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

화학 및 물리적 특성

• 분자량: 470.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 470.09 Da
• Monoisotopic Mass: 470.09 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 981.000
• 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