Back to Search
1-Aminopyrrolidine
CAS: 16596-41-1 | C4H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16596-41-1
Molecular Formula:
C4H10N2
Molecular Weight:
86.138 g/mol
Names and Synonyms:
1-Aminopyrrolidine
Common Name
Pyrrolidin-1-ylamine
Synonym
NSC 80647
Synonym
Pyrrolidylamine
Synonym
1-Aminopyrrolidine
Synonym
N-Aminopyrrolidine
Synonym
Pyrrolidine, 1-amino-
Synonym
1-Pyrrolidinamine
Synonym
Identifiers:
SMILES:
NN1CCCC1
InChI:
InChI=1S/C4H10N2/c5-6-3-1-2-4-6/h1-5H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 86.14 g/mol | Legacy Database |
| cas-boiling-point | 53 °C @ Press: 40 Torr None | Legacy Database |
| cas-canonical-smile | NN1CCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H10N2/c5-6-3-1-2-4-6/h1-5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=SBMSLRMNBSMKQC-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-Aminopyrrolidine None | Legacy Database |
| LogP | -0.04410000000000025 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.138 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.08439831999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.994399999999988 | RDKit |