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Molecule
2-Aminobiphenyl
CAS: 90-41-5 · C12H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 90-41-5
- Molecular Formula
- C12H11N
- Molecular Mass
- 169.23 g/mol
Identifiers
CAS Registry Number
90-41-5
SMILES
Nc1ccccc1-c1ccccc1
InChI Key
TWBPWBPGNQWFSJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2
Names and Synonyms
- 2-Aminobiphenyl Synonym
- [1,1′-Biphenyl]-2-amine Synonym
- 2-Biphenylamine Synonym
- o-Aminodiphenyl Synonym
- 2-Aminodiphenyl Synonym
- o-Phenylaniline Synonym
- o-Biphenylamine Synonym
- 2-Aminobiphenyl Synonym
- o-Aminobiphenyl Synonym
- 2-Phenylaniline Synonym
- 2-Phenylbenzenamine Synonym
- NSC 7661 Synonym
- 2-Amino-1,1′-biphenyl Synonym
- 2-Amino-1,1-Biphenyl 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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Aminobiphenyl | CAS Common Chemistry |
| Boiling Point | 299 °C | CAS Common Chemistry |
| Canonical SMILES | NC=1C=CC=CC1C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=TWBPWBPGNQWFSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 51 °C | CAS Common Chemistry |
| Name | 2-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
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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 = 169.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H11N.
