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1-Pyrrolidineethanamine
CAS: 7154-73-6 | C6H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7154-73-6
Molecular Formula:
C6H14N2
Molecular Weight:
114.192 g/mol
Names and Synonyms:
1-Pyrrolidineethanamine
1-Pyrrolidineethanamine
Pyrrolidine, 1-(2-aminoethyl)-
2-(1-Pyrrolidinyl)ethylamine
1-(2-Aminoethyl)pyrrolidine
2-Pyrrolidinoethyl amine
N-(2-Aminoethyl)pyrrolidine
Pyrrolidinoethanamine
Pyrrolidinoethylamine
N-(2′-Aminoethyl)pyrrolidine
N-Aminoethylpyrrolidine
2-(1-Pyrrolidinyl)ethanamine
NSC 73740
2-(Pyrrolidino)ethanamine
N-[2-(Pyrrolidin-1-yl)ethyl]amine
2-(Pyrrolidin-1-yl)ethan-1-amine
Identifiers:
SMILES:
NCCN1CCCC1
InChI:
InChI=1S/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 114.192 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.11569844799999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 29.259999999999998 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.040899999999999714 | RDKit |
| molecular_mass | 114.19 g/mol | Legacy Database |
| cas-boiling-point | 66-70 °C None | Legacy Database |
| cas-canonical-smile | NCCN1CCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=WRXNJTBODVGDRY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 219 °C (decomp) None | Legacy Database |
| cas-name | 1-Pyrrolidineethanamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.72839999999999 | RDKit |
