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Molecule
Ethylbutylamine
CAS: 13360-63-9 · C6H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13360-63-9
- Molecular Formula
- C6H15N
- Molecular Mass
- 101.19 g/mol
Identifiers
CAS Registry Number
13360-63-9
SMILES
CCCCNCC
InChI Key
QHCCDDQKNUYGNC-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3
Names and Synonyms
- Ethylbutylamine Synonym
- 1-Butanamine, N-ethyl- Synonym
- Butylamine, N-ethyl- Synonym
- N-Ethyl-1-butanamine Synonym
- N-Butyl-N-ethylamine Synonym
- N-Ethylbutylamine Synonym
- Butylethylamine Synonym
- Ethylbutylamine Synonym
- N-Ethyl-N-butylamine Synonym
- N-Butylethylamine Synonym
- N-Ethylbutanamine Synonym
- N-Ethyl,N-(n-butyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.19 g/mol | CAS Common Chemistry |
| 101.19299999999998 g/mol | RDKit | |
| 101.193 g/mol | RDKit | |
| Density | 0.74 g/cm³ | CAS Common Chemistry |
| 0.7398 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 101.12044947999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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20
0 ppm
| 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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Quick conversion
MW = 101.19 g/mol; density = 0.740 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15N.
