Back to Search
Ethylbutylamine
CAS: 13360-63-9 | C6H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13360-63-9
Molecular Formula:
C6H15N
Molecular Mass:
101.19 g/mol
Names and Synonyms:
Ethylbutylamine
1-Butanamine, N-ethyl-
Butylamine, N-ethyl-
N-Ethyl-1-butanamine
N-Butyl-N-ethylamine
N-Ethylbutylamine
Butylethylamine
Ethylbutylamine
N-Ethyl-N-butylamine
N-Butylethylamine
N-Ethylbutanamine
N-Ethyl,N-(n-butyl)amine
Identifiers:
SMILES:
CCCCNCC
InChI:
InChI=1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3
Key Properties
Boiling Point
107.5 °C
CAS Common Chemistry
Melting Point
-78 °C
CAS Common Chemistry
Density
0.74 g/cm³
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 | 101.19 g/mol | CAS Common Chemistry |
| 101.19299999999998 g/mol | RDKit | |
| 101.12044947999999 g/mol | RDKit | |
| Density | 0.74 g/cm³ | CAS Common Chemistry |
| 0.7398 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 107.5 °C | CAS Common Chemistry |
| Canonical SMILES | N(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QHCCDDQKNUYGNC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -78 °C | CAS Common Chemistry |
| Name | Ethylbutylamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.396 | RDKit |
| Molar Refractivity | 33.45169999999999 | RDKit |
