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1-(2-Aminophenyl)Pyrrole
CAS: 6025-60-1 | C10H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6025-60-1
Molecular Formula:
C10H10N2
Molecular Mass:
158.20 g/mol
Names and Synonyms:
1-(2-Aminophenyl)Pyrrole
Benzenamine, 2-(1H-pyrrol-1-yl)-
Pyrrole, 1-(o-aminophenyl)-
2-(1H-Pyrrol-1-yl)benzenamine
N-(2-Aminophenyl)pyrrole
1-(o-Aminophenyl)pyrrole
1-(2-Aminophenyl)pyrrole
o-(1-Pyrrolyl)aniline
2-(1-Pyrrolyl)aniline
2-(1H-Pyrrol-1-yl)phenylamine
NSC 130753
2-Pyrrol-1-ylphenylamine
2-(1H-Pyrrol-1-yl)aniline
Identifiers:
SMILES:
Nc1ccccc1-n1cccc1
InChI:
InChI=1S/C10H10N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,11H2
Key Properties
Melting Point
94-96 °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 | 158.20 g/mol | CAS Common Chemistry |
| 158.204 g/mol | RDKit | |
| 158.08439832 g/mol | RDKit | |
| Canonical SMILES | NC=1C=CC=CC1N2C=CC=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GDMZHPUPLWQIBD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94-96 °C | CAS Common Chemistry |
| Name | 1-(2-Aminophenyl)pyrrole | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 30.95 Ų | RDKit |
| LogP | 2.0595 | RDKit |
| Molar Refractivity | 50.18140000000002 | RDKit |
