Back to Search
5-Br-Padap
CAS: 14337-53-2 | C15H17BrN4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14337-53-2
Molecular Formula:
C15H17BrN4O
Molecular Mass:
349.23 g/mol
Names and Synonyms:
5-Br-Padap
Phenol, 2-[2-(5-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)-
Phenol, 2-[(5-bromo-2-pyridyl)azo]-5-(diethylamino)-
Phenol, 2-[(5-bromo-2-pyridinyl)azo]-5-(diethylamino)-
2-[2-(5-Bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol
2-(5-Bromo-2-pyridylazo)-5-(diethylamino)phenol
5-Br-PADAP
2-(5-Bromo-2-pyridinylazo)-5-(diethylamino)phenol
2-(5′-Bromo-2′-pyridylazo)-5-(diethylamino)phenol
5-Bromo-PADAP
5-Bromo-DEPAP
2-(5-Bromo-2-pyridylazo)-5-diethylaminephenol
NSC 367081
5-Br-DEPAP
2-((5-Bromopyridin-2-yl)diazenyl)-5-(diethylamino)phenol
Identifiers:
SMILES:
CCN(CC)c1ccc(N=Nc2ccc(Br)cn2)c(O)c1
InChI:
InChI=1S/C15H17BrN4O/c1-3-20(4-2)12-6-7-13(14(21)9-12)18-19-15-8-5-11(16)10-17-15/h5-10,21H,3-4H2,1-2H3
Key Properties
Melting Point
157-158 °C
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 | 349.23 g/mol | CAS Common Chemistry |
| 349.232 g/mol | RDKit | |
| 348.058573264 g/mol | RDKit | |
| Canonical SMILES | BrC1=CN=C(N=NC2=CC=C(C=C2O)N(CC)CC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H17BrN4O/c1-3-20(4-2)12-6-7-13(14(21)9-12)18-19-15-8-5-11(16)10-17-15/h5-10,21H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HNVCXDAVEHOIBP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 157-158 °C | CAS Common Chemistry |
| Name | 5-Br-PADAP | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 61.08 Ų | RDKit |
| LogP | 4.811300000000004 | RDKit |
| Molar Refractivity | 87.78080000000003 | RDKit |
