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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

Physical Properties

Property Value Source
molecular_mass 248.72 g/mol Legacy Database
cas-boiling-point 2262 °C None Legacy Database
cas-canonical-smile Cl.N(=NC1=CC=C(N)C=C1N)C=2C=CC=CC2 None 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 None Legacy Database
cas-inchi-key InChIKey=MCTQNEBFZMBRSQ-UHFFFAOYSA-N None Legacy Database
cas-melting-point 118-118.5 °C None Legacy Database
cas-name Chrysoidine None Legacy Database
LogP 3.688200000000002 RDKit

Molecular

Property Value Source
Molecular Weight 248.717 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 248.08287409599998 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 17 count RDKit

Hydrogen

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

Rotatable

Property Value Source
Rotatable Bonds 2 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 76.75999999999999 Ų RDKit

Molar

Property Value Source
Molar Refractivity 73.13280000000002 RDKit

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