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4-(3-Chloropropyl)Morpholine Hydrochloride
CAS: 57616-74-7 | C7H15Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57616-74-7
Molecular Formula:
C7H15Cl2NO
Molecular Mass:
200.11 g/mol
Names and Synonyms:
4-(3-Chloropropyl)Morpholine Hydrochloride
Morpholine, 4-(3-chloropropyl)-, hydrochloride (1:1)
Morpholine, 4-(3-chloropropyl)-, hydrochloride
Morpholinopropyl chloride hydrochloride
4-(3-Chloropropyl)morpholine hydrochloride
3-(Morpholino)propyl chloride hydrochloride
N-(3-Chloropropyl)morpholine hydrochloride
Identifiers:
SMILES:
Cl.ClCCCN1CCOCC1
InChI:
InChI=1S/C7H14ClNO.ClH/c8-2-1-3-9-4-6-10-7-5-9;/h1-7H2;1H
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 | 200.11 g/mol | CAS Common Chemistry |
| 200.10899999999995 g/mol | RDKit | |
| 199.05306946 g/mol | RDKit | |
| Canonical SMILES | Cl.ClCCCN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14ClNO.ClH/c8-2-1-3-9-4-6-10-7-5-9;/h1-7H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=PQECODMSWJOUAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(3-Chloropropyl)morpholine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| LogP | 1.3692999999999997 | RDKit |
| Molar Refractivity | 49.84400000000003 | RDKit |
