Back to Search
1-(3-Aminopropyl)-2-Pyrrolidinone
CAS: 7663-77-6 | C7H14N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7663-77-6
Molecular Formula:
C7H14N2O
Molecular Weight:
142.202 g/mol
Names and Synonyms:
1-(3-Aminopropyl)-2-Pyrrolidinone
2-Pyrrolidinone, 1-(3-aminopropyl)-
1-(3-Aminopropyl)-2-pyrrolidinone
N-(3-Aminopropyl)-γ-butyrolactam
N-(3-Aminopropyl)-2-pyrrolidinone
N-(3-Aminopropyl)-2-pyrrolidone
Acisoga
1-(3-Aminopropyl)-2-pyrrolidone
3-(2-Oxo-1-pyrrolidinyl)propylamine
1-(3-Aminopropyl)-2-oxopyrrolidine
[3-(2-Oxopyrrolidino)propyl]amine
NSC 108683
1-(3-Aminopropyl)pyrrolidin-2-one
2-Oxo-1-pyrrolidinepropanamine
Identifiers:
SMILES:
NCCCN1CCCC1=O
InChI:
InChI=1S/C7H14N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-6,8H2
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 | 142.20 g/mol | Legacy Database |
| cas-boiling-point | 121-124 °C @ Press: 1.5 Torr None | Legacy Database |
| cas-canonical-smile | O=C1N(CCCN)CCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H14N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-6,8H2 None | Legacy Database |
| cas-inchi-key | InChIKey=HJORCZCMNWLHMB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-(3-Aminopropyl)-2-pyrrolidinone None | Legacy Database |
| LogP | -0.04239999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.202 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.110613068 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.33 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.48540000000001 | RDKit |
