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2-(Aminomethyl)-1-Ethylpyrrolidine
CAS: 26116-12-1 | C7H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26116-12-1
Molecular Formula:
C7H16N2
Molecular Mass:
128.22 g/mol
Names and Synonyms:
2-(Aminomethyl)-1-Ethylpyrrolidine
2-Pyrrolidinemethanamine, 1-ethyl-
Pyrrolidine, 2-(aminomethyl)-1-ethyl-
1-Ethyl-2-pyrrolidinemethanamine
2-(Aminomethyl)-1-ethylpyrrolidine
1-Ethyl-2-(aminomethyl)pyrrolidine
N-Ethyl-α-aminomethylpyrrolidine
N-Ethyl-2-(aminomethyl)pyrrolidine
2-(Aminomethyl)-N-ethylpyrrolidine
1-Ethyl-2-pyrrolidinemethylamine
(1-Ethyl-2-pyrrolidinyl)methylamine
(±)-2-(Aminomethyl)-1-ethylpyrrolidine
1-(1-Ethylpyrrolidin-2-yl)methanamine
(1-Ethylpyrrolidin-2-yl)methanamine
N-[(1-Ethylpyrrolidin-2-yl)methyl]amine
N-Ethyl-2-aminomethyltetrahydropyrrolidine
Identifiers:
SMILES:
CCN1CCCC1CN
InChI:
InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3
Key Properties
Boiling Point
77-78 °C @ Press: 10 Torr
CAS Common Chemistry
Density
0.90 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 | 128.22 g/mol | CAS Common Chemistry |
| 128.219 g/mol | RDKit | |
| 128.131348512 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.897 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 77-78 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | NCC1N(CC)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UNRBEYYLYRXYCG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Aminomethyl)-1-ethylpyrrolidine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | 0.4294000000000001 | RDKit |
| Molar Refractivity | 39.3234 | RDKit |
