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Norchlorcyclizine
CAS: 303-26-4 | C17H19ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
303-26-4
Molecular Formula:
C17H19ClN2
Molecular Mass:
286.81 g/mol
Names and Synonyms:
Norchlorcyclizine
Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-
Piperazine, 1-(p-chloro-α-phenylbenzyl)-
1-[(4-Chlorophenyl)phenylmethyl]piperazine
Norchlorcyclizine
N-(p-Chlorobenzhydryl)piperazine
4-(4-Chlorobenzhydryl)piperazine
1-(4-Chloro-α-phenylbenzyl)piperazine
1-(α-Phenyl-4-chlorobenzyl)piperazine
1-(4-Chlorobenzhydryl)piperazine
N-(4-Chlorophenyl)phenylmethylpiperazine
NSC 86164
N-(4-Chlorobenzhydryl)piperazine
(±)-1-(p-Chlorobenzhydryl)piperazine
Identifiers:
SMILES:
Clc1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChI:
InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
Key Properties
Boiling Point
175-180 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
63-65 °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 | 286.81 g/mol | CAS Common Chemistry |
| 286.80600000000004 g/mol | RDKit | |
| 286.123676288 g/mol | RDKit | |
| Boiling Point | 175-180 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C1)C(C=2C=CC=CC2)N3CCNCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UZKBSZSTDQSMDR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63-65 °C | CAS Common Chemistry |
| Name | Norchlorcyclizine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 3.334600000000002 | RDKit |
| Molar Refractivity | 84.17970000000004 | RDKit |
