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N-Isopropylethylenediamine
CAS: 19522-67-9 | C5H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19522-67-9
Molecular Formula:
C5H14N2
Molecular Mass:
102.18 g/mol
Names and Synonyms:
N-Isopropylethylenediamine
1,2-Ethanediamine, N1-(1-methylethyl)-
Ethylenediamine, N-isopropyl-
1,2-Ethanediamine, N-(1-methylethyl)-
N1-(1-Methylethyl)-1,2-ethanediamine
2-(Isopropylamino)ethylamine
N-Isopropylethylenediamine
N-Isopropylethane-1,2-diamine
NSC 84230
1-Isopropylethylenediamine
N-Isopropyl-1,2-diaminoethane
N-(Propan-2-yl)ethane-1,2-diamine
(2-Aminoethyl)(propan-2-yl)amine
Identifiers:
SMILES:
CC(C)NCCN
InChI:
InChI=1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3
Key Properties
Boiling Point
135.5-137.5 °C @ Press: 767 Torr
CAS Common Chemistry
Density
0.82 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.18 g/mol | CAS Common Chemistry |
| 102.18100000000001 g/mol | RDKit | |
| 102.11569844799999 g/mol | RDKit | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.8232 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 135.5-137.5 °C @ Press: 767 Torr | 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 |
| Molar Refractivity | 32.19309999999999 | RDKit |
