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4-(Aminomethyl)Piperidine
CAS: 7144-05-0 | C6H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7144-05-0
Molecular Formula:
C6H14N2
Molecular Mass:
114.19 g/mol
Names and Synonyms:
4-(Aminomethyl)Piperidine
(Piperidin-4-ylmethyl)amine
NSC 62826
1-(Piperidin-4-yl)methanamine
4-Piperidinemethanamine
Piperidine, 4-(aminomethyl)-
4-(Aminomethyl)piperidine
NSC 194294
Piperidin-4-ylmethanamine
Identifiers:
SMILES:
NCC1CCNCC1
InChI:
InChI=1S/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2
Key Properties
Boiling Point
200 °C
CAS Common Chemistry
Melting Point
25 °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 | 114.19 g/mol | CAS Common Chemistry |
| 114.19200000000001 g/mol | RDKit | |
| 114.11569844799999 g/mol | RDKit | |
| Boiling Point | 200 °C | CAS Common Chemistry |
| Canonical SMILES | NCC1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LTEKQAPRXFBRNN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 25 °C | CAS Common Chemistry |
| Name | 4-(Aminomethyl)piperidine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | -0.05530000000000013 | RDKit |
| Molar Refractivity | 34.6481 | RDKit |
