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Molecule
3-Amino-9-Ethylcarbazole
CAS: 132-32-1 · C14H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 132-32-1
- Molecular Formula
- C14H14N2
- Molecular Mass
- 210.28 g/mol
Identifiers
CAS Registry Number
132-32-1
SMILES
CCn1c2ccccc2c2cc(N)ccc21
InChI Key
OXEUETBFKVCRNP-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2,15H2,1H3
Names and Synonyms
- 3-Amino-9-Ethylcarbazole Systematic Name
- 3-Amino-N-ethylcarbazole Synonym
- 9-Ethyl-3-carbazolamine Synonym
- 9-Ethyl-9H-carbazol-3-ylamine Synonym
- NSC 67709 Synonym
- NSC 96640 Synonym
- AEC Synonym
- AEC (chromogen) Synonym
- 9-Ethyl-9H-carbazole-3-amine Synonym
- 3-Amino-9-ethyl-9H-carbazole Synonym
- N-(9-Ethyl-9H-carbazol-3-yl)amine Synonym
- 9H-Carbazol-3-amine, 9-ethyl- Synonym
- Carbazole, 3-amino-9-ethyl- Synonym
- 9-Ethyl-9H-carbazol-3-amine Synonym
- 3-Amino-9-ethylcarbazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.28 g/mol | CAS Common Chemistry |
| 210.27999999999997 g/mol | RDKit | |
| 211.288 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3-Amino-9-ethylcarbazole | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C2C(=C1)C=3C=CC=CC3N2CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H14N2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2,15H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OXEUETBFKVCRNP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127 °C | CAS Common Chemistry |
| Name | 3-Amino-9-ethylcarbazole | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| 1 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 30.95 Ų | RDKit |
| LogP | 3.396600000000001 | RDKit |
| 3.3966 | RDKit | |
| Molar Refractivity | 69.53040000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| Exact Mass | 210.115698448 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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 = 210.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14N2.
