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Molecule
3-(Diethylamino)-1-Propanol
CAS: 622-93-5 · C7H17NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 622-93-5
- Molecular Formula
- C7H17NO
- Molecular Mass
- 131.22 g/mol
Identifiers
CAS Registry Number
622-93-5
SMILES
CCN(CC)CCCO
InChI Key
WKCYFSZDBICRKL-UHFFFAOYSA-N
InChI
InChI=1S/C7H17NO/c1-3-8(4-2)6-5-7-9/h9H,3-7H2,1-2H3
Names and Synonyms
- 3-(Diethylamino)-1-Propanol Synonym
- 1-Propanol, 3-(diethylamino)- Synonym
- 3-(Diethylamino)-1-propanol Synonym
- N,N-Diethyl-3-amino-1-propanol Synonym
- N,N-Diethyl-3-hydroxypropylamine Synonym
- 3-(Diethylamino)propyl alcohol Synonym
- Diethylpropanolamine Synonym
- 3-(N,N-Diethylamino)-1-propanol Synonym
- NSC 8697 Synonym
- N-(3-Hydroxypropyl)diethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.22 g/mol | CAS Common Chemistry |
| 131.21900000000002 g/mol | RDKit | |
| 131.219 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8600 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 189.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCCCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H17NO/c1-3-8(4-2)6-5-7-9/h9H,3-7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WKCYFSZDBICRKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73-74 °C | CAS Common Chemistry |
| Name | 3-(Diethylamino)-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 0.7105999999999999 | RDKit |
| 0.7106 | RDKit | |
| Molar Refractivity | 39.4908 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 131.131014164 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 = 131.22 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H17NO.
