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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
Names and Synonyms:
2-Aminobiphenyl
[1,1′-Biphenyl]-2-amine
2-Biphenylamine
o-Aminodiphenyl
2-Aminodiphenyl
o-Phenylaniline
o-Biphenylamine
2-Aminobiphenyl
o-Aminobiphenyl
2-Phenylaniline
2-Phenylbenzenamine
NSC 7661
2-Amino-1,1′-biphenyl
2-Amino-1,1-Biphenyl
Identifiers:
SMILES:
Nc1ccccc1-c1ccccc1
InChI:
InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2
Key Properties
Boiling Point
299 °C
CAS Common Chemistry
Melting Point
51 °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 | 169.23 g/mol | CAS Common Chemistry |
| 169.227 g/mol | RDKit | |
| 169.089149352 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 |
| Molar Refractivity | 56.29040000000002 | RDKit |
