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Molecule
2-(Isopropylamino)Ethanol
CAS: 109-56-8 · C5H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 109-56-8
- Molecular Formula
- C5H13NO
- Molecular Mass
- 103.16 g/mol
Identifiers
CAS Registry Number
109-56-8
SMILES
CC(C)NCCO
InChI Key
RILLZYSZSDGYGV-UHFFFAOYSA-N
InChI
InChI=1S/C5H13NO/c1-5(2)6-3-4-7/h5-7H,3-4H2,1-2H3
Names and Synonyms
- 2-(Isopropylamino)Ethanol Synonym
- Ethanol, 2-[(1-methylethyl)amino]- Synonym
- Ethanol, 2-(isopropylamino)- Synonym
- 2-[(1-Methylethyl)amino]ethanol Synonym
- 2-(Isopropylamino)ethanol Synonym
- 2-(Monoisopropylamino)ethanol Synonym
- N-(Hydroxyethyl)isopropylamine Synonym
- N-Isopropylaminoethanol Synonym
- N-Isopropylethanolamine Synonym
- 2-(N-Isopropylamino)ethanol Synonym
- NSC 1090 Synonym
- NSC 128124 Synonym
- N-(2-Hydroxyethyl)isopropylamine Synonym
- N-Isopropyl-2-hydroxyethylamine Synonym
- 2-(Isopropylamino)-1-ethanol Synonym
- 2-[(Propan-2-yl)amino]ethan-1-ol Synonym
- 2-(Propan-2-ylamino)ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.16 g/mol | CAS Common Chemistry |
| 103.16499999999999 g/mol | RDKit | |
| 103.165 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8977 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 173 °C | CAS Common Chemistry |
| Canonical SMILES | OCCNC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H13NO/c1-5(2)6-3-4-7/h5-7H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RILLZYSZSDGYGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 128.5 °C | CAS Common Chemistry |
| Name | 2-(Isopropylamino)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | -0.023299999999999987 | RDKit |
| -0.0233 | RDKit | |
| Molar Refractivity | 30.224499999999985 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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| 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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Quick conversion
MW = 103.16 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13NO.
