Back to Search
Molecule
4-Piperidinamine, N-Methyl-, Hydrochloride (1:2)
CAS: 1220039-56-4 · C6H16Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1220039-56-4
- Molecular Formula
- C6H16Cl2N2
- Molecular Mass
- 187.11 g/mol
Identifiers
CAS Registry Number
1220039-56-4
SMILES
CNC1CCNCC1.Cl.Cl
InChI Key
SQWLHHCASOERQE-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2.2ClH/c1-7-6-2-4-8-5-3-6;;/h6-8H,2-5H2,1H3;2*1H
Names and Synonyms
- 4-Piperidinamine, N-Methyl-, Hydrochloride (1:2) Synonym
- 4-Piperidinamine, N-methyl-, hydrochloride (1:2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.11 g/mol | CAS Common Chemistry |
| 187.11400000000003 g/mol | RDKit | |
| 187.114 g/mol | RDKit | |
| 187.108 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N1CCC(NC)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2.2ClH/c1-7-6-2-4-8-5-3-6;;/h6-8H,2-5H2,1H3;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=SQWLHHCASOERQE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Piperidinamine, N-methyl-, hydrochloride (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | 0.8013999999999997 | RDKit |
| 0.8014 | RDKit | |
| Molar Refractivity | 49.44740000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 186.06905387199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 187.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H16Cl2N2.
