Back to Search
2-Aminofluorene
CAS: 153-78-6 | C13H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
153-78-6
Molecular Formula:
C13H11N
Molecular Mass:
181.24 g/mol
Names and Synonyms:
2-Aminofluorene
9H-Fluoren-2-amine
Fluoren-2-amine
2-Aminofluorene
2-Fluorenylamine
N-2-Fluorenylamine
NSC 12274
NSC 26328
2-Amino-9H-fluorene
Identifiers:
SMILES:
Nc1ccc2c(c1)Cc1ccccc1-2
InChI:
InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2
Key Properties
Melting Point
131-132 °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 | 181.24 g/mol | CAS Common Chemistry |
| 181.23800000000003 g/mol | RDKit | |
| 181.089149352 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Aminofluorene | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C2C=3C=CC=CC3CC2=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CFRFHWQYWJMEJN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131-132 °C | CAS Common Chemistry |
| Name | 2-Aminofluorene | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.8400000000000016 | RDKit |
| Molar Refractivity | 59.09640000000002 | RDKit |
