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Molecule
1-(N,N-Dimethylamino)Butane
CAS: 927-62-8 · C6H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 927-62-8
- Molecular Formula
- C6H15N
- Molecular Mass
- 101.19 g/mol
Identifiers
CAS Registry Number
927-62-8
SMILES
CCCCN(C)C
InChI Key
DJEQZVQFEPKLOY-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3
Names and Synonyms
- 1-(N,N-Dimethylamino)Butane Synonym
- 1-Butanamine, N,N-dimethyl- Synonym
- Butylamine, N,N-dimethyl- Synonym
- N,N-Dimethyl-1-butanamine Synonym
- N,N-Dimethylbutylamine Synonym
- Butyldimethylamine Synonym
- 1-(N,N-Dimethylamino)butane Synonym
- N-Butyldimethylamine Synonym
- Dimethyl(n-butyl)amine Synonym
- N-n-Butyldimethylamine Synonym
- D 1506 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 | 1.06 g/cm³ | CAS Common Chemistry |
| 1.0601 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 95 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DJEQZVQFEPKLOY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96 °C | CAS Common Chemistry |
| Name | 1-(N,N-Dimethylamino)butane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 1.3481 | RDKit |
| Molar Refractivity | 33.46199999999998 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
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200 ppm
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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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Quick conversion
MW = 101.19 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15N.
