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Molecule
Dapi
CAS: 28718-90-3 · C16H17Cl2N5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 28718-90-3
- Molecular Formula
- C16H17Cl2N5
- Molecular Mass
- 350.25 g/mol
Identifiers
CAS Registry Number
28718-90-3
SMILES
Cl.Cl.N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3[nH]2)cc1
InChI Key
FPNZBYLXNYPRLR-UHFFFAOYSA-N
InChI
InChI=1S/C16H15N5.2ClH/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13;;/h1-8,21H,(H3,17,18)(H3,19,20);2*1H
Names and Synonyms
- Dapi Common Name
- 1H-Indole-6-carboximidamide, 2-[4-(aminoiminomethyl)phenyl]-, hydrochloride (1:2) Synonym
- Indole-6-carboxamidine, 2-(p-amidinophenyl)-, dihydrochloride Synonym
- 1H-Indole-6-carboximidamide, 2-[4-(aminoiminomethyl)phenyl]-, dihydrochloride Synonym
- 6-Amidino-2-(4-amidinophenyl)indole dihydrochloride Synonym
- 4′,6-Diamidino-2-phenylindole dihydrochloride Synonym
- FxCycle Violet Synonym
- DAPI Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 350.25 g/mol | CAS Common Chemistry |
| 350.25300000000004 g/mol | RDKit | |
| 350.253 g/mol | RDKit | |
| 350.247 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DAPI | CAS Common Chemistry |
| Canonical SMILES | Cl.N=C(N)C=1C=CC(=CC1)C2=CC3=CC=C(C=C3N2)C(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/C16H15N5.2ClH/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13;;/h1-8,21H,(H3,17,18)(H3,19,20);2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=FPNZBYLXNYPRLR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4′,6-Diamidino-2-phenylindole dihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 115.53 Ų | RDKit |
| LogP | 3.24664 | RDKit |
| 3.2466 | RDKit | |
| Molar Refractivity | 100.26289999999997 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 349.08610090400003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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
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MW = 350.25 g/mol. Edit any field — others recompute live.
