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Disperse Violet 1

CAS: 128-95-0 | C14H10N2O2

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 128-95-0
Molecular Formula: C14H10N2O2
Molecular Weight: 238.246 g/mol

Names and Synonyms:

Disperse Violet 1
9,10-Anthracenedione, 1,4-diamino-
Cibacet Violet 2R
Anthraquinone, 1,4-diamino-
1,4-Diamino-9,10-anthracenedione
C.I. 61100
Acetate Red Violet R
Acetoquinone Light Heliotrope NL
Acetylon Fast Red Violet R
Amacel Heliotrope R
Artisil Direct Violet 2RP
Celanthrene Red Violet R
Celliton Fast Red Violet
Celliton Fast Red Violet RN
Celliton Fast Red Violet RNA-CF
Celutate Red Violet RH
Cibacet Violet E 2R
Cilla Fast Red Violet RN
C.I. Solvent Violet 11
Diacelliton Fast Violet 5R
1,4-Diaminoanthraquinone
Duranol Violet 2R
Fenacet Fast Violet 5R
Gracet Violet 2R
Grasol Violet R
Interchem Acetate Red Violet RRLF
Interchem Acetate Violet R
Interchem Hisperse Violet 2RH
Krisolamine
Microsetile Violet 3R
Miketon Fast Red Violet R
Nacelan Violet 4R
Nyloquinone Violet R
Oracet Violet 2R
Perliton Violet 3R
Serisol Brilliant Violet 2R
Setacyl Violet P-R
Setacyl Violet R
Setile Violet 3R
Supracet Brilliant Violet 3R
C.I. Disperse Violet 1
Amaplast Red Violet P 2R
Disperse Violet K
Artisil Violet 2RP
1,4-Diamino-9,10-anthraquinone
Resiren Violet TR
Celliton Fast Violet R
Oil Violet R
Transetile Violet P 3R
Sudan Violet
NSC 7833
Celliton Red Violet RN
Smoke Violet LK 6064
Diacelliton Fast Violet 3R
Solvent Violet 11
Disperse Violet 1
Cibacet Violet 2RI
Dispersol Violet B 2RA
Violet 14447
Serilene Brilliant Violet 2R
Akasperse Violet 3R
NSC 63807
1,4-Diamine anthoaquine
1,4-Diamino-9,10-dihydroanthracene-9,10-dione

Identifiers:

SMILES:
Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O
InChI:
InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 238.25 g/mol Legacy Database
cas-canonical-smile O=C1C=2C=CC=CC2C(=O)C=3C(N)=CC=C(N)C13 None Legacy Database
cas-inchi InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2 None Legacy Database
cas-inchi-key InChIKey=FBMQNRKSAWNXBT-UHFFFAOYSA-N None Legacy Database
cas-melting-point 268 °C None Legacy Database
cas-name Disperse Violet 1 None Legacy Database
LogP 1.6264 RDKit

Molecular

Property Value Source
Molecular Weight 238.246 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 238.07422756 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 18 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 86.18 Ų RDKit

Molar

Property Value Source
Molar Refractivity 68.5738 RDKit

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