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Molecule
N-Ethyl-1,3-Propanediamine
CAS: 10563-23-2 · C5H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10563-23-2
- Molecular Formula
- C5H14N2
- Molecular Mass
- 102.18 g/mol
Identifiers
CAS Registry Number
10563-23-2
SMILES
CCNCCCN
InChI Key
ODGYWRBCQWKSSH-UHFFFAOYSA-N
InChI
InChI=1S/C5H14N2/c1-2-7-5-3-4-6/h7H,2-6H2,1H3
Names and Synonyms
- N-Ethyl-1,3-Propanediamine Systematic Name
- 1,3-Propanediamine, N1-ethyl- Synonym
- 1,3-Propanediamine, N-ethyl- Synonym
- N1-Ethyl-1,3-propanediamine Synonym
- N-Ethyl-1,3-propanediamine Synonym
- 1-Amino-3-(ethylamino)propane Synonym
- 3-(Ethylamino)propylamine Synonym
- N-Ethyltrimethylenediamine Synonym
- NSC 166312 Synonym
- N-(3-Aminopropyl)ethylamine Synonym
- N-Ethylpropylenediamine Synonym
- 3-Amino-1-ethylaminopropane Synonym
- N-Ethyl-1,3-diaminopropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.18 g/mol | CAS Common Chemistry |
| 102.18100000000001 g/mol | RDKit | |
| 102.181 g/mol | RDKit | |
| Canonical SMILES | NCCCNCC | CAS Common Chemistry |
| InChI | InChI=1S/C5H14N2/c1-2-7-5-3-4-6/h7H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ODGYWRBCQWKSSH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Ethyl-1,3-propanediamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | -0.055300000000000016 | RDKit |
| -0.0553 | RDKit | |
| Molar Refractivity | 32.215099999999985 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 102.11569844799999 g/mol | RDKit |
| Boiling Point | 156 °C @ 735 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| 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 = 102.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H14N2.
