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Molecule
N,N-Dimethylallylamine
CAS: 2155-94-4 · C5H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2155-94-4
- Molecular Formula
- C5H11N
- Molecular Mass
- 85.15 g/mol
Identifiers
CAS Registry Number
2155-94-4
SMILES
C=CCN(C)C
InChI Key
GBCKRQRXNXQQPW-UHFFFAOYSA-N
InChI
InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3
Names and Synonyms
- N,N-Dimethylallylamine Synonym
- 2-Propen-1-amine, N,N-dimethyl- Synonym
- Allylamine, N,N-dimethyl- Synonym
- N,N-Dimethyl-2-propen-1-amine Synonym
- Dimethylallylamine Synonym
- N,N-Dimethylallylamine Synonym
- Allyldimethylamine Synonym
- N-Allyl-N,N-dimethylamine Synonym
- N,N-Dimethyl-2-propenylamine Synonym
- NSC 32615 Synonym
- 3-(Dimethylamino)-1-propene Synonym
- AC 407980050 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 85.15 g/mol | CAS Common Chemistry |
| 85.14999999999999 g/mol | RDKit | |
| Density | 0.71 g/cm³ | CAS Common Chemistry |
| 0.7094 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 64 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GBCKRQRXNXQQPW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 59-63 °C | CAS Common Chemistry |
| Name | N,N-Dimethylallylamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 0.734 | RDKit |
| Molar Refractivity | 28.750999999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 85.08914935199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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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MW = 85.15 g/mol; density = 0.710 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11N.
