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Molecule
1-(2-Aminophenyl)Pyrrole
CAS: 6025-60-1 · C10H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6025-60-1
- Molecular Formula
- C10H10N2
- Molecular Mass
- 158.20 g/mol
Identifiers
CAS Registry Number
6025-60-1
SMILES
Nc1ccccc1-n1cccc1
InChI Key
GDMZHPUPLWQIBD-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,11H2
Names and Synonyms
- 1-(2-Aminophenyl)Pyrrole Synonym
- Benzenamine, 2-(1H-pyrrol-1-yl)- Synonym
- Pyrrole, 1-(o-aminophenyl)- Synonym
- 2-(1H-Pyrrol-1-yl)benzenamine Synonym
- N-(2-Aminophenyl)pyrrole Synonym
- 1-(o-Aminophenyl)pyrrole Synonym
- 1-(2-Aminophenyl)pyrrole Synonym
- o-(1-Pyrrolyl)aniline Synonym
- 2-(1-Pyrrolyl)aniline Synonym
- 2-(1H-Pyrrol-1-yl)phenylamine Synonym
- NSC 130753 Synonym
- 2-Pyrrol-1-ylphenylamine Synonym
- 2-(1H-Pyrrol-1-yl)aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.20 g/mol | CAS Common Chemistry |
| 158.204 g/mol | RDKit | |
| 159.212 g/mol | chempirical lib | |
| 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 |
| 1 | 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 158.08439832 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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.
External Resources
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MW = 158.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10N2.
