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Chrysoidine

CAS: 532-82-1 | C12H13ClN4

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 532-82-1
Molecular Formula: C12H13ClN4
Molecular Weight: 248.717 g/mol

Names and Synonyms:

Chrysoidine
1,3-Benzenediamine, 4-(2-phenyldiazenyl)-, hydrochloride (1:1)
C.I. Basic Orange 2, monohydrochloride
C.I. Basic Orange 2
1,3-Benzenediamine, 4-(phenylazo)-, monohydrochloride
C.I. 11270
Astra Chrysoidine R
Brasilazina Orange Y
Calcozine Orange YS
Chrysoidine
Chrysoidine A
Chrysoidine G
Chrysoidine J
Chrysoidine Y
Chrysoidine Y Crystals
Chrysoidine C
Chrysoidine B
Chrysoidine M
Chrysoidine GN
Chrysoidine GS
Chrysoidine HR
Chrysoidine orange
Chrysoidine PRL
Chrysoidine PRR
Chrysoidine SL
Chrysoidine Y Special
Chrysoidine SS
Chrysoidine YL
Chrysoidine YN
Chrysoidin FB
2,4-Diaminoazobenzene hydrochloride
Diazocard Chrysoidine G
Leather Orange HR
Nippon Kagaku Chrysoidine
Pure Chrysoidine YBH
Sugai Chrysoidine
Tertrophene Brown CG
Chrysoidin
Chrysoidine II
Chrysoidine hydrochloride
Atlantic Chrysoidine Y
Verona Chrysoidine GN
Basic Orange 2
Basonyl Orange 200
Chrysodine

Identifiers:

SMILES:
Cl.Nc1ccc(N=Nc2ccccc2)c(N)c1
InChI:
InChI=1S/C12H12N4.ClH/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;/h1-8H,13-14H2;1H

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

Category Property Value Source
Physical Properties molecular_mass 248.72 g/mol Legacy Database
cas-boiling-point 2262 °C Legacy Database
cas-canonical-smile Cl.N(=NC1=CC=C(N)C=C1N)C=2C=CC=CC2 Legacy Database
cas-inchi InChI=1S/C12H12N4.ClH/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;/h1-8H,13-14H2;1H Legacy Database
cas-inchi-key InChIKey=MCTQNEBFZMBRSQ-UHFFFAOYSA-N Legacy Database
cas-melting-point 118-118.5 °C Legacy Database
cas-name Chrysoidine Legacy Database
LogP 3.688200000000002 RDKit
Molecular Molecular Weight 248.717 g/mol RDKit
Exact Exact Molecular Weight 248.08287409599998 g/mol RDKit
Heavy Heavy Atom Count 17 count RDKit
Hydrogen Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 2 count RDKit
Rotatable Rotatable Bonds 2 count RDKit
Aromatic Aromatic Ring Count 2 count RDKit
Topological Topological Polar Surface Area 76.75999999999999 Ų RDKit
Molar Molar Refractivity 73.13280000000002 RDKit

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