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1-Pyrrolidinepropanamine
CAS: 23159-07-1 | C7H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23159-07-1
Molecular Formula:
C7H16N2
Molecular Mass:
128.22 g/mol
Names and Synonyms:
1-Pyrrolidinepropanamine
1-Pyrrolidinepropanamine
3-Pyrrolidin-1-ylpropan-1-amine
3-Pyrrolidinopropanamine
Pyrrolidine, 1-(3-aminopropyl)-
1-(3-Aminopropyl)pyrrolidine
3-Pyrrolidinopropylamine
3-(1-Pyrrolidinyl)propylamine
N-(3-Aminopropyl)pyrrolidine
NSC 345670
Identifiers:
SMILES:
NCCCN1CCCC1
InChI:
InChI=1S/C7H16N2/c8-4-3-7-9-5-1-2-6-9/h1-8H2
Key Properties
Boiling Point
85-87 °C @ Press: 26 Torr
CAS Common Chemistry
Melting Point
215-217 °C
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 | |
| Boiling Point | 85-87 °C @ Press: 26 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCCN1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2/c8-4-3-7-9-5-1-2-6-9/h1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VPBWZBGZWHDNKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 215-217 °C | CAS Common Chemistry |
| Name | 1-Pyrrolidinepropanamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | 0.43100000000000005 | RDKit |
| Molar Refractivity | 39.345400000000005 | RDKit |
