Back to Search

Safranin

CAS: 477-73-6 | C20H19ClN4

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 477-73-6
Molecular Formula: C20H19ClN4
Molecular Weight: 350.85300000000007 g/mol

Names and Synonyms:

Safranin
Phenazinium, 3,7-diamino-2,8-dimethyl-5-phenyl-, chloride (1:1)
Safranine O
C.I. Basic Red 2
Phenazinium, 3,7-diamino-2,8-dimethyl-5-phenyl-, chloride
C.I. 50240
Brilliant Safranine G
Brilliant Safranine BR
Brilliant Safranine GR
Calcozine Red Y
3,7-Diamino-2,8-dimethyl-5-phenylphenazinium chloride
Hidaco Safranine
Leather Red HT
Mitsui Safranine T
Nippon Kagaku Safranine T
Nippon Kagaku Safranine GK
Safranin
Safranin O
Safranine
Safranine GF
Safranine OK
Safranine Superfine G
Safranine TH
Safranine TN
Safranine TS
Safranine YN
Safranine A
Safranine B
Safranine G
Safranine J
Safranine T
Safranine Y
Safranine Zh
2,8-Dimethylphenosafranine
Safranin T
Basic Red 2
Tolusafranine
Gossypimine
Safranine OK 70:100
Duasyn Basic Red TH
Lowacryl Red 2
Lowacryl Red 2 Conc
Basic Pink
Safranin orange
o-Safranin
3,7-Diamino-2,8-dimethyl-5-phenylphenazin-5-ium chloride

Identifiers:

SMILES:
Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N.[Cl-]
InChI:
InChI=1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);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 350.85 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Safranin None Legacy Database
cas-canonical-smile [Cl-].N=1C=2C=C(C(N)=CC2[N+](C=3C=CC=CC3)=C4C=C(N)C(=CC14)C)C None Legacy Database
cas-inchi InChI=1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H None Legacy Database
cas-inchi-key InChIKey=OARRHUQTFTUEOS-UHFFFAOYSA-N None Legacy Database
cas-name Safranine None Legacy Database
wikipedia-name Safranin None Legacy Database
LogP 0.4499399999999997 RDKit

Molecular

Property Value Source
Molecular Weight 350.85300000000007 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 350.129824288 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 25 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 4 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 68.81 Ų RDKit

Molar

Property Value Source
Molar Refractivity 99.07980000000002 RDKit

Recent Searches

Acetone
Ethanol
Navigate
esc Close