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Chloropyramine Hydrochloride
CAS: 6170-42-9 | C16H21Cl2N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6170-42-9
Molecular Formula:
C16H21Cl2N3
Molecular Mass:
326.27 g/mol
Names and Synonyms:
Chloropyramine Hydrochloride
1,2-Ethanediamine, N1-[(4-chlorophenyl)methyl]-N2,N2-dimethyl-N1-2-pyridinyl-, hydrochloride (1:1)
Pyridine, 2-[(p-chlorobenzyl)[2-(dimethylamino)ethyl]amino]-, monohydrochloride
1,2-Ethanediamine, N-[(4-chlorophenyl)methyl]-N′,N′-dimethyl-N-2-pyridinyl-, monohydrochloride
Chloropyribenzamine hydrochloride
Halopyramine hydrochloride
Chloropyramine hydrochloride
Chlorpyramine hydrochloride
N-(β-Dimethylaminoethyl)-N-(p-chlorobenzyl)-α-aminopyridine hydrochloride
Alergosan
Suprastin hydrochloride
Allergan S hydrochloride
Sinopen hydrochloride
NSC 409949
CFAK-C 4
Identifiers:
SMILES:
CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl
InChI:
InChI=1S/C16H20ClN3.ClH/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14;/h3-10H,11-13H2,1-2H3;1H
Key Properties
Melting Point
172-174 °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 |
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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 | 326.27 g/mol | CAS Common Chemistry |
| 326.271 g/mol | RDKit | |
| 325.11125303200004 g/mol | RDKit | |
| Canonical SMILES | Cl.ClC1=CC=C(C=C1)CN(C2=NC=CC=C2)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H20ClN3.ClH/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14;/h3-10H,11-13H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=VEYWWAGBHABATA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 172-174 °C | CAS Common Chemistry |
| Name | Chloropyramine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 19.37 Ų | RDKit |
| LogP | 3.7250000000000028 | RDKit |
| Molar Refractivity | 92.54100000000005 | RDKit |
