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Molecule
1,2,4,5-Tetraaminobenzene Tetrahydrochloride
CAS: 4506-66-5 · C6H14Cl4N4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4506-66-5
- Molecular Formula
- C6H14Cl4N4
- Molecular Mass
- 284.02 g/mol
Identifiers
CAS Registry Number
4506-66-5
SMILES
Cl.Cl.Cl.Cl.Nc1cc(N)c(N)cc1N
InChI Key
BZDGCIJWPWHAOF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N4.4ClH/c7-3-1-4(8)6(10)2-5(3)9;;;;/h1-2H,7-10H2;4*1H
Names and Synonyms
- 1,2,4,5-Tetraaminobenzene Tetrahydrochloride Systematic Name
- 1,2,4,5-Benzenetetramine, hydrochloride (1:4) Synonym
- 1,2,4,5-Benzenetetramine, tetrahydrochloride Synonym
- 1,2,4,5-Tetraaminobenzene tetrahydrochloride Synonym
- FAK Inhibitor 14 Synonym
- NSC 667249 Synonym
- Y 15 Synonym
- NSC 677249 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.02 g/mol | CAS Common Chemistry |
| 284.01800000000003 g/mol | RDKit | |
| 284.018 g/mol | RDKit | |
| 284.006 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NC=1C=C(N)C(N)=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C6H10N4.4ClH/c7-3-1-4(8)6(10)2-5(3)9;;;;/h1-2H,7-10H2;4*1H | CAS Common Chemistry |
| InChI Key | InChIKey=BZDGCIJWPWHAOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2,4,5-Tetraaminobenzene tetrahydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 104.08 Ų | RDKit |
| LogP | 1.7025999999999997 | RDKit |
| 1.7026 | RDKit | |
| Molar Refractivity | 73.0836 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 281.997257168 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 284.02 g/mol. Edit any field — others recompute live.
