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Molecule
Dimethylisopropylamine
CAS: 996-35-0 · C5H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 996-35-0
- Molecular Formula
- C5H13N
- Molecular Mass
- 87.17 g/mol
Identifiers
CAS Registry Number
996-35-0
SMILES
CC(C)N(C)C
InChI Key
VMOWKUTXPNPTEN-UHFFFAOYSA-N
InChI
InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3
Names and Synonyms
- Dimethylisopropylamine Common Name
- 2-Propanamine, N,N-dimethyl- Synonym
- Ethylamine, N,N,1-trimethyl- Synonym
- N,N-Dimethyl-2-propanamine Synonym
- Dimethylisopropylamine Synonym
- N,N-Dimethylisopropylamine Synonym
- Isopropyldimethylamine Synonym
- 2-Dimethylaminopropane Synonym
- Catalyst 704 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.17 g/mol | CAS Common Chemistry |
| 87.166 g/mol | RDKit | |
| Boiling Point | 66 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VMOWKUTXPNPTEN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dimethylisopropylamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 0.9564 | RDKit |
| Molar Refractivity | 28.822999999999983 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 87.10479941599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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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MW = 87.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13N.
