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Molecule
Diisopropylamine
CAS: 108-18-9 · C6H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 108-18-9
- Molecular Formula
- C6H15N
- Molecular Mass
- 101.19 g/mol
Identifiers
CAS Registry Number
108-18-9
SMILES
CC(C)NC(C)C
InChI Key
UAOMVDZJSHZZME-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3
Names and Synonyms
- Diisopropylamine Common Name
- 2-Propanamine, N-(1-methylethyl)- Synonym
- Diisopropylamine Synonym
- N-(1-Methylethyl)-2-propanamine Synonym
- N,N-Diisopropylamine Synonym
- Bis(isopropyl)amine Synonym
- NSC 6758 Synonym
- N-(Propan-2-yl)propan-2-amine Synonym
- Bis(1-methylethyl)amine Synonym
- N-Isopropylpropan-2-amine Synonym
- Bis(propan-2-yl)amine Synonym
- D 0925 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 | 0.72 g/cm³ | CAS Common Chemistry |
| 0.7169 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diisopropylamine | CAS Common Chemistry |
| Canonical SMILES | N(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UAOMVDZJSHZZME-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -61 °C | CAS Common Chemistry |
| Name | Diisopropylamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.3927999999999998 | RDKit |
| 1.3928 | RDKit | |
| Molar Refractivity | 33.407699999999984 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 101.12044947999999 g/mol | RDKit |
| Boiling Point | 84 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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40
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 = 0.720 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15N.
