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1-Piperidineethanamine
CAS: 27578-60-5 | C7H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27578-60-5
Molecular Formula:
C7H16N2
Molecular Weight:
128.219 g/mol
Names and Synonyms:
1-Piperidineethanamine
2-(Piperidin-1-yl)ethan-1-amine
2-(1-Piperidyl)ethanamine
N-(2-Aminethyl)piperidine
2-Piperidin-1-ylethanamine
NSC 54993
2-Piperidino-1-ethanamine
Piperidinoethylamine
N-(2-Aminoethyl)piperidine
2-(1-Piperidinyl)ethylamine
N-Aminoethylpiperidine
2-Piperidinoethylamine
1-(2-Aminoethyl)piperidine
Piperidine, 1-(2-aminoethyl)-
1-Piperidineethanamine
Identifiers:
SMILES:
NCCN1CCCCC1
InChI:
InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2
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 | 128.22 g/mol | Legacy Database |
| cas-boiling-point | 65-70 °C @ Press: 10 Torr None | Legacy Database |
| cas-canonical-smile | NCCN1CCCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2 None | Legacy Database |
| cas-inchi-key | InChIKey=CJNRGSHEMCMUOE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 67-70 °C @ Solvent: Ligroine, Dichloromethane None | Legacy Database |
| cas-name | 1-Piperidineethanamine None | Legacy Database |
| LogP | 0.4309999999999996 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 128.219 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 128.131348512 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.345400000000005 | RDKit |
