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Molecule
Decylamine
CAS: 2016-57-1 · C10H23N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2016-57-1
- Molecular Formula
- C10H23N
- Molecular Mass
- 157.30 g/mol
Identifiers
CAS Registry Number
2016-57-1
SMILES
CCCCCCCCCCN
InChI Key
MHZGKXUYDGKKIU-UHFFFAOYSA-N
InChI
InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
Names and Synonyms
- Decylamine Common Name
- 1-Decanamine Synonym
- Decylamine Synonym
- 1-Aminodecane Synonym
- Decanamine Synonym
- n-Decylamine Synonym
- 1-Decylamine Synonym
- Monodecylamine Synonym
- Kemamine P 190D Synonym
- NDA Synonym
- Caprylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.30 g/mol | CAS Common Chemistry |
| 157.301 g/mol | RDKit | |
| Density | 0.79 g/cm³ | CAS Common Chemistry |
| 0.7933 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 220.5 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MHZGKXUYDGKKIU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 17 °C | CAS Common Chemistry |
| Name | Decylamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.0858000000000008 | RDKit |
| 3.0858 | RDKit | |
| Molar Refractivity | 51.66440000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 157.183049736 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 157.30 g/mol; density = 0.790 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H23N.
