Back to Search
4-Piperidinamine, N,N-Dimethyl-, Hydrochloride (1:2)
CAS: 4876-59-9 | C7H18Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4876-59-9
Molecular Formula:
C7H18Cl2N2
Molecular Mass:
201.14 g/mol
Names and Synonyms:
4-Piperidinamine, N,N-Dimethyl-, Hydrochloride (1:2)
4-Piperidinamine, N,N-dimethyl-, hydrochloride (1:2)
4-Piperidinamine, N,N-dimethyl-, dihydrochloride
Piperidine, 4-(dimethylamino)-, dihydrochloride
4-(Dimethylamino)piperidine dihydrochloride
Dimethyl(piperidin-4-yl)amine dihydrochloride
N,N-Dimethylpiperidin-4-amine dihydrochloride
Identifiers:
SMILES:
CN(C)C1CCNCC1.Cl.Cl
InChI:
InChI=1S/C7H16N2.2ClH/c1-9(2)7-3-5-8-6-4-7;;/h7-8H,3-6H2,1-2H3;2*1H
Key Properties
Melting Point
288-290 °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 | 201.14 g/mol | CAS Common Chemistry |
| 201.14100000000002 g/mol | RDKit | |
| 200.08470393599998 g/mol | RDKit | |
| Canonical SMILES | Cl.N1CCC(N(C)C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2.2ClH/c1-9(2)7-3-5-8-6-4-7;;/h7-8H,3-6H2,1-2H3;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=XCJNSBCFLUPJAP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 288-290 °C | CAS Common Chemistry |
| Name | 4-Piperidinamine, N,N-dimethyl-, hydrochloride (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 1.1435999999999995 | RDKit |
| Molar Refractivity | 54.07470000000004 | RDKit |
