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4-(3-Chloropropyl)Morpholine
CAS: 7357-67-7 | C7H14ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7357-67-7
Molecular Formula:
C7H14ClNO
Molecular Mass:
163.65 g/mol
Names and Synonyms:
4-(3-Chloropropyl)Morpholine
Morpholine, 4-(3-chloropropyl)-
4-(3-Chloropropyl)morpholine
3-Morpholinopropyl chloride
N-(3-Chloropropyl)morpholine
1-Chloro-3-morpholinopropane
NSC 28831
NSC 38889
3-Chloro-1-(morpholin-4-yl)propane
3-(Morpholin-4-yl)propyl chloride
Identifiers:
SMILES:
ClCCCN1CCOCC1
InChI:
InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
Key Properties
Boiling Point
110-115 °C @ Press: 25 Torr
CAS Common Chemistry
Density
1.04 g/cm³
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 | 163.65 g/mol | CAS Common Chemistry |
| 163.648 g/mol | RDKit | |
| 163.076391748 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0409 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 110-115 °C @ Press: 25 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCCCN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PIAZYBLGBSMNLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(3-Chloropropyl)morpholine | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 0.9475 | RDKit |
| Molar Refractivity | 42.59600000000002 | RDKit |
