Basic Blue 7 - Dye content 90 % , CAS No.2390-60-5

CAS: 2390-60-5 Cat. No.: V137540 분자식: C₃₃H₄₀ClN₃ 분자량: 514.15 Beilstein Registry Number: 13775 EC 번호: 219-232-0 PubChem CID: 75444

등급 & 순도 Dye content 90 %

Synonyms

BROMOFENOFOS MONOHYDRATE | MFCD00011877 | Mitsui Victoria Pure Blue BO | 30F6F48H95 | Victoria Pure Blue BO CI 42595 | [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium;chloride | D88781 | N-(4-((4-(Diethylamino)phenyl)(4-(ethy

Storage

Room temperature

Shipped In

Normal

개요

Basic Blue 7 are triaminodiphenylnaphthylmethanes, with lipophilic cations and large conjugated systems.

사양

동의어

BROMOFENOFOS MONOHYDRATE | MFCD00011877 | Mitsui Victoria Pure Blue BO | 30F6F48H95 | Victoria Pure Blue BO CI 42595 | [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium;chloride | D88781 | N-(4-((4-(Diethylamino)phenyl)(4-(ethy

사양 및 순도

Dye content 90 %

보관 조건

Room temperature

배송

Normal

이름과 식별자

Pubchem Sid

488185100

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185100

정식 스마일

CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C14.[Cl-]

IUPAC Name

[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium;chloride

InChIKey

ROVRRJSRRSGUOL-UHFFFAOYSA-N

INCHI

1S/C33H39N3.ClH/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;/h11-24H,6-10H2,1-5H3;1H

이성체 SMILES

CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C14.[Cl-]

PubChem CID

75444

분자량

514.15

Beilstein

13775

Reaxy-Rn

7160240

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Naphthalenes Dialkylarylamines Aniline and substituted anilines Secondary ketimines Azomethines Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Diphenylmethane - Naphthalene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Secondary ketimine - Azomethine - Tertiary amine - Ketimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organonitrogen compound - Organopnictogen compound - Imine - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Aromatic homopolycyclic compound
• 설명: 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

화학 및 물리적 특성

• 굴절률: 1.47
• 분자량: 514.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 513.291 Da
• Monoisotopic Mass: 513.291 Da
• Topological Polar Surface Area: 20.500 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 722.000
• 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: 2

XLogP3