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Molecule
3-(Dimethylamino)-1-Propanol
CAS: 3179-63-3 · C5H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3179-63-3
- Molecular Formula
- C5H13NO
- Molecular Mass
- 103.17 g/mol
Identifiers
CAS Registry Number
3179-63-3
SMILES
CN(C)CCCO
InChI Key
PYSGFFTXMUWEOT-UHFFFAOYSA-N
InChI
InChI=1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3
Names and Synonyms
- 3-(Dimethylamino)-1-Propanol Systematic Name
- 1-Propanol, 3-(dimethylamino)- Synonym
- 3-(Dimethylamino)-1-propanol Synonym
- N,N-Dimethyl-γ-aminopropanol Synonym
- γ-(Dimethylamino)propanol Synonym
- 1-Dimethylamino-3-propanol Synonym
- 3-(Dimethylamino)propanol Synonym
- 3-(N,N-Dimethylamino)propanol Synonym
- N,N-Dimethyl-3-amino-1-propanol Synonym
- 3-(N,N-Dimethylamino)-1-propanol Synonym
- N,N-Dimethyl-3-hydroxypropylamine Synonym
- N,N-Dimethylpropanolamine Synonym
- Dimethylpropanolamine Synonym
- N,N-Dimethyl-3-aminopropanol Synonym
- NSC 62086 Synonym
- 3-(Dimethylamino)propyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.17 g/mol | CAS Common Chemistry |
| 103.16499999999999 g/mol | RDKit | |
| 103.165 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.8816 g/cm3 @ 21 °C | CAS Common Chemistry | |
| Boiling Point | 163.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PYSGFFTXMUWEOT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145-147 °C | CAS Common Chemistry |
| Name | 3-(Dimethylamino)-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | -0.06960000000000005 | RDKit |
| -0.0696 | RDKit | |
| Molar Refractivity | 30.256799999999984 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 103.099714036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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 = 103.17 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13NO.
