BASIC BLUE 3

CAS

73570-52-2

Catalog Number

ACM73570522

Category

Basic Dyes

Molecular Weight

359.89

Molecular Formula

C₂₀H₂₆ClN₃O

MSDS COA Spec Sheet

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Specification

Synonyms

3,7-bis(diethylamino)-phenoxazin-5-iunitrate;Phenazoxonium,3,7-bis(diethylamino)-,nitrate;Phenoxazin-5-ium,3,7-bis(diethylamino)-,nitrate;CI BASIC BLUE 3;CI 42775;CI 51004;CI NO 51004;BASIC BLUE 3

IUPAC Name

[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium nitrate

Canonical SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[N+](=O)([O-])[O-]

InChI Key

FINMBCOJZNNVJY-UHFFFAOYSA-N

Melting Point

205ºC (dec.)(lit.)

EC Number

277-539-5

Exact Mass

386.19500

H-Bond Acceptor

H-Bond Donor

Safety Description

22-24/25

What is the molecular formula of Basic Blue 3?

The molecular formula of Basic Blue 3 is C20H26ClN3O.

What is the molecular weight of Basic Blue 3?

The molecular weight of Basic Blue 3 is 359.9 g/mol.

What are some synonyms for Basic Blue 3?

Some synonyms for Basic Blue 3 include 33203-82-6, C.I. Basic Blue 3, and Phenoxazin-5-ium, 3,7-bis(diethylamino)-, chloride.

When was Basic Blue 3 created?

Basic Blue 3 was created on August 8, 2005.

What is the IUPAC name of Basic Blue 3?

The IUPAC name of Basic Blue 3 is [7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium;chloride.

What is the Canonical SMILES representation of Basic Blue 3?

The Canonical SMILES representation of Basic Blue 3 is CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-].

What is the InChIKey of Basic Blue 3?

The InChIKey of Basic Blue 3 is IURGIPVDZKDLIX-UHFFFAOYSA-M.

What is the CAS number for Basic Blue 3?

The CAS number for Basic Blue 3 is 33203-82-6.

How many hydrogen bond acceptors are there in Basic Blue 3?

There are 4 hydrogen bond acceptors in Basic Blue 3.

How many rotatable bonds are there in Basic Blue 3?

There are 5 rotatable bonds in Basic Blue 3.

What is the molecular formula of Basic Blue 3 according to the reference?

The molecular formula of Basic Blue 3 is C20H26ClN3O.

When was Basic Blue 3 created, according to the reference?

Basic Blue 3 was created on August 8, 2005.

What is the Canonical SMILES of Basic Blue 3?

The Canonical SMILES of Basic Blue 3 is CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-].

What is the exact mass of Basic Blue 3?

The exact mass of Basic Blue 3 is 359.1764402 g/mol.

What is the hydrogen bond acceptor count of Basic Blue 3?

The hydrogen bond acceptor count of Basic Blue 3 is 4.

What is the complexity of Basic Blue 3?

The complexity of Basic Blue 3 is 533.