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Molecule
N-(2-Hydroxypropyl)Ethylenediamine
CAS: 123-84-2 · C5H14N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 123-84-2
- Molecular Formula
- C5H14N2O
- Molecular Mass
- 118.18 g/mol
Identifiers
CAS Registry Number
123-84-2
SMILES
CC(O)CNCCN
InChI Key
CWKVFRNCODQPDB-UHFFFAOYSA-N
InChI
InChI=1S/C5H14N2O/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3
Names and Synonyms
- N-(2-Hydroxypropyl)Ethylenediamine Common Name
- 2-Propanol, 1-[(2-aminoethyl)amino]- Synonym
- 1-[(2-Aminoethyl)amino]-2-propanol Synonym
- N-(β-Hydroxypropyl)ethylenediamine Synonym
- N-(2-Hydroxypropyl)ethylenediamine Synonym
- β-Hydroxypropylethylenediamine Synonym
- Monolene Synonym
- N-(β-Hydroxypropyl)-1,2-diaminoethane Synonym
- (2-Hydroxypropylamino)ethylamine Synonym
- N-(β-Aminoethyl)isopropanolamine Synonym
- Amino Alcohol PA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.18 g/mol | CAS Common Chemistry |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9810 g/cm3 @ 28.5 °C | CAS Common Chemistry | |
| Boiling Point | 155 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)CNCCN | CAS Common Chemistry |
| InChI | InChI=1S/C5H14N2O/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CWKVFRNCODQPDB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -50 °C | CAS Common Chemistry |
| Name | N-(2-Hydroxypropyl)ethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.28 Ų | RDKit |
| LogP | -1.0844999999999994 | RDKit |
| -1.0845 | RDKit | |
| Molar Refractivity | 33.60489999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 118.11061306799999 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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120
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20
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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 = 118.18 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H14N2O.
