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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 Mass:
128.22 g/mol
Names and Synonyms:
1-Piperidineethanamine
1-Piperidineethanamine
Piperidine, 1-(2-aminoethyl)-
1-(2-Aminoethyl)piperidine
2-Piperidinoethylamine
N-Aminoethylpiperidine
2-(1-Piperidinyl)ethylamine
N-(2-Aminoethyl)piperidine
Piperidinoethylamine
2-Piperidino-1-ethanamine
NSC 54993
2-Piperidin-1-ylethanamine
N-(2-Aminethyl)piperidine
2-(1-Piperidyl)ethanamine
2-(Piperidin-1-yl)ethan-1-amine
Identifiers:
SMILES:
NCCN1CCCCC1
InChI:
InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2
Key Properties
Boiling Point
65-70 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
67-70 °C @ Solvent: Ligroine, Dichloromethane
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 | 65-70 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCN1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CJNRGSHEMCMUOE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67-70 °C @ Solvent: Ligroine, Dichloromethane | CAS Common Chemistry |
| Name | 1-Piperidineethanamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | 0.4309999999999996 | RDKit |
| Molar Refractivity | 39.345400000000005 | RDKit |
