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N-Ethyl-2-Propanamine
CAS: 19961-27-4 | C5H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19961-27-4
Molecular Formula:
C5H13N
Molecular Weight:
87.166 g/mol
Names and Synonyms:
N-Ethyl-2-Propanamine
Common Name
(Ethyl)(1-methylethyl)amine
Synonym
NSC 165659
Synonym
N-Ethyl-N-isopropylamine
Synonym
2-(Ethylamino)propane
Synonym
Isopropylethylamine
Synonym
Ethylisopropylamine
Synonym
N-Ethylisopropylamine
Synonym
N-Ethyl-2-propanamine
Synonym
Diethylamine, 1-methyl-
Synonym
2-Propanamine, N-ethyl-
Synonym
Identifiers:
SMILES:
CCNC(C)C
InChI:
InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3
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 |
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200 ppm
180
160
140
120
100
80
60
40
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.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 87.166 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 87.10479941599999 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 6 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 1 count | RDKit |
Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 2 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 12.03 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | 1.0043 | RDKit |
molecular_mass | 87.17 g/mol | Legacy Database |
density | 0.71 g/cm³ | Legacy Database |
cas-boiling-point | 69.6 °C None | Legacy Database |
cas-canonical-smile | N(CC)C(C)C None | Legacy Database |
cas-density | 0.71 g/cm3 @ Temp: 20 °C None | Legacy Database |
cas-inchi | InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3 None | Legacy Database |
cas-inchi-key | InChIKey=RIVIDPPYRINTTH-UHFFFAOYSA-N None | Legacy Database |
cas-name | N-Ethyl-2-propanamine None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 28.812699999999985 | RDKit |