Structure

Vat Black 29

CAS
6049-19-0
Catalog Number
ACM6049190
Category
Vat Dyes
Molecular Weight
986.98
Molecular Formula
C64H34N4O8

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Specification

Synonyms
Vat Black 29;N,N'-[(6,12-dihydro-6,12-dioxodibenzo[def,mno]chrysene-4,10-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]bis(benzamide)];C.I. Vat Balck 29;Vat black 29 (C.I. 65225);Benzamide, N,N'-[(6,12-dihydro-6,12- dioxodibenzo[def,mno]chr
IUPAC Name
Vat Black 29
Density
1.561
Exact Mass
986.23800
What is the molecular formula of Vat Black 29?

The molecular formula of Vat Black 29 is C64H34N4O8.

When was Vat Black 29 created and last modified?

Vat Black 29 was created on 2015-02-16 and last modified on 2023-12-23.

What is the molecular weight of Vat Black 29?

The molecular weight of Vat Black 29 is 987.0 g/mol.

What is the IUPAC Name of Vat Black 29?

The IUPAC Name of Vat Black 29 is N-[4-[[18-[(4-benzamido-9,10-dioxoanthracen-1-yl)amino]-12,22-dioxo-9-hexacyclo[11.7.1.1 4,20 .0 2,11 .0 3,8 .0 17,21 ]docosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]amino]-9,10-dioxoanthracen-1-yl]benzamide.

What is the InChIKey of Vat Black 29?

The InChIKey of Vat Black 29 is OOBLPEMDRSTPAM-UHFFFAOYSA-N.

What is the Canonical SMILES of Vat Black 29?

The Canonical SMILES of Vat Black 29 is C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=C5C=CC=C6C5=C7C(=C4)C(=O)C8=CC=CC9=C(C=C(C7=C98)C6=O)NC1=C2C(=C(C=C1)NC(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1C2=O)C(=O)C1=CC=CC=C1C3=O.

What is the CAS number of Vat Black 29?

The CAS number of Vat Black 29 is 6049-19-0.

What is the Hydrogen Bond Donor Count of Vat Black 29?

The Hydrogen Bond Donor Count of Vat Black 29 is 4.

What is the Rotatable Bond Count of Vat Black 29?

The Rotatable Bond Count of Vat Black 29 is 8.

What is the Topological Polar Surface Area of Vat Black 29?

The Topological Polar Surface Area of Vat Black 29 is 185 Å2.

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