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3,3′-Dihydroxy-4,4′-Diaminobiphenyl
CAS: 2373-98-0 | C12H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2373-98-0
Molecular Formula:
C12H12N2O2
Molecular Mass:
216.24 g/mol
Names and Synonyms:
3,3′-Dihydroxy-4,4′-Diaminobiphenyl
[1,1′-Biphenyl]-3,3′-diol, 4,4′-diamino-
3,3′-Biphenyldiol, 4,4′-diamino-
m,m′-Biphenol, 6,6′-diamino-
4,4′-Diamino[1,1′-biphenyl]-3,3′-diol
3,3′-Dihydroxybenzidine
[1,1′-Biphenyl]-4,4′-diamine, 3,3′-dihydroxy-
3,3′-Dihydroxy-4,4′-diaminobiphenyl
HAB (diol)
4,4′-Diamino-3,3′-dihydroxybiphenyl
4,4′-Diaminobiphenyl-3,3′-diol
2-Amino-5-(4-amino-3-hydroxyphenyl)phenol
Identifiers:
SMILES:
Nc1ccc(-c2ccc(N)c(O)c2)cc1O
InChI:
InChI=1S/C12H12N2O2/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6,15-16H,13-14H2
Key Properties
Melting Point
225 °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 | 216.24 g/mol | CAS Common Chemistry |
| 216.23999999999998 g/mol | RDKit | |
| 216.089877624 g/mol | RDKit | |
| Canonical SMILES | OC=1C=C(C=CC1N)C2=CC=C(N)C(O)=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2O2/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6,15-16H,13-14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZGDMDBHLKNQPSD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 225 °C (decomp) | CAS Common Chemistry |
| Name | 3,3′-Dihydroxy-4,4′-diaminobiphenyl | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 92.5 Ų | RDKit |
| LogP | 1.9292000000000002 | RDKit |
| Molar Refractivity | 64.03240000000001 | RDKit |
