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Molecule
N-Isopropylethylenediamine
CAS: 19522-67-9 · C5H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19522-67-9
- Molecular Formula
- C5H14N2
- Molecular Mass
- 102.18 g/mol
Identifiers
CAS Registry Number
19522-67-9
SMILES
CC(C)NCCN
InChI Key
KDRUIMNNZBMLJR-UHFFFAOYSA-N
InChI
InChI=1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3
Names and Synonyms
- N-Isopropylethylenediamine Common Name
- 1,2-Ethanediamine, N1-(1-methylethyl)- Synonym
- Ethylenediamine, N-isopropyl- Synonym
- 1,2-Ethanediamine, N-(1-methylethyl)- Synonym
- N1-(1-Methylethyl)-1,2-ethanediamine Synonym
- 2-(Isopropylamino)ethylamine Synonym
- N-Isopropylethylenediamine Synonym
- N-Isopropylethane-1,2-diamine Synonym
- NSC 84230 Synonym
- 1-Isopropylethylenediamine Synonym
- N-Isopropyl-1,2-diaminoethane Synonym
- N-(Propan-2-yl)ethane-1,2-diamine Synonym
- (2-Aminoethyl)(propan-2-yl)amine 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 | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.8232 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | NCCNC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KDRUIMNNZBMLJR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Isopropylethylenediamine | 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 | 38.05 Ų | RDKit |
| LogP | -0.056900000000000284 | RDKit |
| -0.0569 | RDKit | |
| Molar Refractivity | 32.19309999999999 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 | 135.5-137.5 °C @ 767 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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; density = 0.820 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H14N2.
