Back to Search
Molecule
4-Decylaniline
CAS: 37529-30-9 · C16H27N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 37529-30-9
- Molecular Formula
- C16H27N
- Molecular Mass
- 233.40 g/mol
Identifiers
CAS Registry Number
37529-30-9
SMILES
CCCCCCCCCCc1ccc(N)cc1
InChI Key
WGENWPANMZLPIH-UHFFFAOYSA-N
InChI
InChI=1S/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3
Names and Synonyms
- 4-Decylaniline Systematic Name
- Benzenamine, 4-decyl- Synonym
- Aniline, p-decyl- Synonym
- 4-Decylbenzenamine Synonym
- p-n-Decylaniline Synonym
- 4-n-Decylaniline Synonym
- p-Decylaniline Synonym
- 4-Decylaniline Synonym
- 4-Decylphenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 233.40 g/mol | CAS Common Chemistry |
| 233.399 g/mol | RDKit | |
| Melting Point | 25 °C | CAS Common Chemistry |
| Boiling Point | 219 °C | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C(C=C1)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WGENWPANMZLPIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Decylaniline | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 4.9520000000000035 | RDKit |
| 4.952 | RDKit | |
| 4.81 | chempirical lib | |
| Molar Refractivity | 77.16840000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 233.21434986399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 233.40 g/mol. Edit any field — others recompute live.
