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Molecule
4-Piperidinamine, N,N-Dimethyl-, Hydrochloride (1:2)
CAS: 4876-59-9 · C7H18Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4876-59-9
- Molecular Formula
- C7H18Cl2N2
- Molecular Mass
- 201.14 g/mol
Identifiers
CAS Registry Number
4876-59-9
SMILES
CN(C)C1CCNCC1.Cl.Cl
InChI Key
XCJNSBCFLUPJAP-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2.2ClH/c1-9(2)7-3-5-8-6-4-7;;/h7-8H,3-6H2,1-2H3;2*1H
Names and Synonyms
- 4-Piperidinamine, N,N-Dimethyl-, Hydrochloride (1:2) Synonym
- 4-Piperidinamine, N,N-dimethyl-, hydrochloride (1:2) Synonym
- 4-Piperidinamine, N,N-dimethyl-, dihydrochloride Synonym
- Piperidine, 4-(dimethylamino)-, dihydrochloride Synonym
- 4-(Dimethylamino)piperidine dihydrochloride Synonym
- Dimethyl(piperidin-4-yl)amine dihydrochloride Synonym
- N,N-Dimethylpiperidin-4-amine dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.14 g/mol | CAS Common Chemistry |
| 201.14100000000002 g/mol | RDKit | |
| 201.141 g/mol | RDKit | |
| 201.135 g/mol | chempirical lib | |
| 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 |
| 15.04 Ų | chempirical lib | |
| LogP | 1.1435999999999995 | RDKit |
| 1.1436 | RDKit | |
| Molar Refractivity | 54.07470000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 200.08470393599998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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.
External Resources
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MW = 201.14 g/mol. Edit any field — others recompute live.
