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Molecule
4-Aminobiphenyl
CAS: 92-67-1 · C12H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 92-67-1
- Molecular Formula
- C12H11N
- Molecular Mass
- 169.23 g/mol
Identifiers
CAS Registry Number
92-67-1
SMILES
Nc1ccc(-c2ccccc2)cc1
InChI Key
DMVOXQPQNTYEKQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2
Names and Synonyms
- 4-Aminobiphenyl Synonym
- [1,1′-Biphenyl]-4-amine Synonym
- 4-Biphenylamine Synonym
- p-Aminobiphenyl Synonym
- 4-Aminobiphenyl Synonym
- p-Aminodiphenyl Synonym
- 4-Aminodiphenyl Synonym
- p-Phenylaniline Synonym
- Xenylamine Synonym
- p-Biphenylamine Synonym
- p-Xenylamine Synonym
- 4-Biphenylylamine Synonym
- 4-Phenylaniline Synonym
- 4-Phenylbenzenamine Synonym
- (1,1′-Biphenyl-4-yl)amine Synonym
- NSC 7660 Synonym
- 4-Amino-1,1′-biphenyl Synonym
- p-Aminophenyl benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.23 g/mol | CAS Common Chemistry |
| 169.227 g/mol | RDKit | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.16 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Aminobiphenyl | CAS Common Chemistry |
| Boiling Point | 302 °C | CAS Common Chemistry |
| Canonical SMILES | NC=1C=CC(=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DMVOXQPQNTYEKQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 53.5 °C | CAS Common Chemistry |
| Name | 4-Aminobiphenyl | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.9358000000000013 | RDKit |
| 2.9358 | RDKit | |
| Molar Refractivity | 56.29040000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 169.089149352 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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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Quick conversion
MW = 169.23 g/mol; density = 1.160 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H11N.
