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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
Names and Synonyms:
Dapi
1H-Indole-6-carboximidamide, 2-[4-(aminoiminomethyl)phenyl]-, hydrochloride (1:2)
Indole-6-carboxamidine, 2-(p-amidinophenyl)-, dihydrochloride
1H-Indole-6-carboximidamide, 2-[4-(aminoiminomethyl)phenyl]-, dihydrochloride
6-Amidino-2-(4-amidinophenyl)indole dihydrochloride
4′,6-Diamidino-2-phenylindole dihydrochloride
FxCycle Violet
DAPI
Identifiers:
SMILES:
Cl.Cl.N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3[nH]2)cc1
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
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 | 350.25 g/mol | CAS Common Chemistry |
| 350.25300000000004 g/mol | RDKit | |
| 349.08610090400003 g/mol | RDKit | |
| 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 |
| DAPI | 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 |
| Molar Refractivity | 100.26289999999997 | RDKit |
