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Molecule
4-(3-Chloropropyl)Morpholine
CAS: 7357-67-7 · C7H14ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7357-67-7
- Molecular Formula
- C7H14ClNO
- Molecular Mass
- 163.65 g/mol
Identifiers
CAS Registry Number
7357-67-7
SMILES
ClCCCN1CCOCC1
InChI Key
PIAZYBLGBSMNLX-UHFFFAOYSA-N
InChI
InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
Names and Synonyms
- 4-(3-Chloropropyl)Morpholine Synonym
- Morpholine, 4-(3-chloropropyl)- Synonym
- 4-(3-Chloropropyl)morpholine Synonym
- 3-Morpholinopropyl chloride Synonym
- N-(3-Chloropropyl)morpholine Synonym
- 1-Chloro-3-morpholinopropane Synonym
- NSC 28831 Synonym
- NSC 38889 Synonym
- 3-Chloro-1-(morpholin-4-yl)propane Synonym
- 3-(Morpholin-4-yl)propyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.65 g/mol | CAS Common Chemistry |
| 163.648 g/mol | RDKit | |
| 163.645 g/mol | chempirical lib | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0409 g/cm3 @ 20 °C | 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 |
| 12.24 Ų | chempirical lib | |
| LogP | 0.9475 | RDKit |
| Molar Refractivity | 42.59600000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 163.076391748 g/mol | RDKit |
| Boiling Point | 110-115 °C @ 25 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
External Resources
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MW = 163.65 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H14ClNO.
