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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 Mass:
142.20 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
Key Properties
Boiling Point
121-124 °C @ Press: 1.5 Torr
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 | 142.20 g/mol | CAS Common Chemistry |
| 142.202 g/mol | RDKit | |
| 142.110613068 g/mol | RDKit | |
| Boiling Point | 121-124 °C @ Press: 1.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1N(CCCN)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-6,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HJORCZCMNWLHMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(3-Aminopropyl)-2-pyrrolidinone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.33 Ų | RDKit |
| LogP | -0.04239999999999999 | RDKit |
| Molar Refractivity | 39.48540000000001 | RDKit |
