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Crystal Violet
CAS: 548-62-9 | C25H30ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
548-62-9
Molecular Formula:
C25H30ClN3
Molecular Mass:
407.99 g/mol
Names and Synonyms:
Crystal Violet
Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1)
C.I. Basic Violet 3
Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride
C.I. 42555
Adergon
Aizen Crystal Violet
Aizen Crystal Violet Extra Pure
Aniline violet pyoktanine
Axuris
Badil
Basic Violet BN
Calcozine Violet C
Calcozine Violet 6BN
Crystal Violet 5BO
Crystal Violet 6BO
Crystal Violet AO
Crystal Violet AON
Crystal Violet BPC
Crystal Violet chloride
Crystal Violet Extra Pure
Crystal Violet Extra Pure APN
Crystal Violet Extra Pure APNX
Crystal Violet FN
Crystal Violet HL 2
Crystal Violet Pure DSC
Crystal Violet Pure DSC Brilliant
Crystal Violet SS
Crystal Violet Technical
Crystal Violet USP
Crystal Violet O
Crystal Violet 6B
Crystal Violet 10B
Gentersal
Gentiaverm
Hectograph Violet SR
Hecto Violet R
Hexamethylpararosaniline chloride
Hexamethyl-p-rosaniline chloride
Hidaco Brilliant Crystal Violet
Methylrosaniline chloride
Methyl Violet 5BNO
Methyl Violet 5BO
Methyl Violet 10BO
Methyl Violet 10BD
Methyl Violet 10BK
Methyl Violet 10B
Methyl Violet 10BN
Mitsui Crystal Violet
Paper Blue R
Pararosaniline, N,N,N′,N′,N′′,N′′-hexamethyl-, chloride
Plastoresin Violet 5BO
Pyoktanin
Viocid
Violet 5BO
12416 Violet
Violet CP
Violet 6BN
Crystal Violet BP
Gentian violet
Crystal violet
Violet XXIII
Aniline violet
Meroxylan-Wander
Meroxyl-Wander
Vianin
Methyl Violet 10BNS
Basic Violet 3
Vermicid
Atmonil
Avermin
Genticid
Gentioletten
Oxiuran
Oxycolor
Oxyozyl
Hexamethyl violet
Methyl Violet 6B
Methyl Violet 6B (biological stain)
Sanyo Fanal Violet R
Gentian Violet B
Basonyl Violet 610
Methylrosanilinium chloride
Meroxylan
Meroxyl
Aizen Crystal Violet Powder
Violet 612
Chlorohexamethylene-p-fuchsin
Keyazine Crystal Violet 6B
Identifiers:
SMILES:
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-]
InChI:
InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
Key Properties
Melting Point
205-215 °C (decomp)
CAS Common Chemistry
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 407.99 g/mol | CAS Common Chemistry |
| 407.98900000000003 g/mol | RDKit | |
| 407.21282564 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Crystal_violet | CAS Common Chemistry |
| Canonical SMILES | [Cl-].C=1C=C(C=CC1C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZXJXZNDDNMQXFV-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 205-215 °C (decomp) | CAS Common Chemistry |
| Name | Crystal violet | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.49 Ų | RDKit |
| LogP | 1.4636000000000002 | RDKit |
| Molar Refractivity | 122.95540000000004 | RDKit |
