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Molecule
3-Methoxypropylamine
CAS: 5332-73-0 · C4H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5332-73-0
- Molecular Formula
- C4H11NO
- Molecular Mass
- 89.14 g/mol
Identifiers
CAS Registry Number
5332-73-0
SMILES
COCCCN
InChI Key
FAXDZWQIWUSWJH-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3
Names and Synonyms
- 3-Methoxypropylamine Synonym
- 1-Propanamine, 3-methoxy- Synonym
- Propylamine, 3-methoxy- Synonym
- 3-Methoxy-1-propanamine Synonym
- γ-Methoxypropylamine Synonym
- 3-Methoxypropylamine Synonym
- 1-Amino-3-methoxypropane Synonym
- 3-Aminopropyl methyl ether Synonym
- 3-Methoxy-n-propylamine Synonym
- Propanolamine methyl ether Synonym
- NSC 552 Synonym
- 3-Methoxy-1-aminopropane Synonym
- 1-Methoxy-3-aminopropane Synonym
- (3-Methoxypropan-1-yl)amine Synonym
- [3-(Methyloxy)propyl]amine Synonym
- 3-Amino-1-methoxypropane Synonym
- 3-(Methyloxy)-1-propanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.14 g/mol | CAS Common Chemistry |
| 89.13800000000002 g/mol | RDKit | |
| 89.138 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8737 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 117.5 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FAXDZWQIWUSWJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Methoxypropylamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | -0.01839999999999986 | RDKit |
| -0.0184 | RDKit | |
| Molar Refractivity | 25.547399999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 89.084063972 g/mol | RDKit |
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 = 89.14 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H11NO.
