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Molecule
4,4-Dimethoxy-1-Butanamine
CAS: 19060-15-2 · C6H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19060-15-2
- Molecular Formula
- C6H15NO2
- Molecular Mass
- 133.19 g/mol
Identifiers
CAS Registry Number
19060-15-2
SMILES
COC(CCCN)OC
InChI Key
TYVAXMOICMBSMT-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NO2/c1-8-6(9-2)4-3-5-7/h6H,3-5,7H2,1-2H3
Names and Synonyms
- 4,4-Dimethoxy-1-Butanamine Systematic Name
- 1-Butanamine, 4,4-dimethoxy- Synonym
- Butyraldehyde, 4-amino-, dimethyl acetal Synonym
- Butylamine, 4,4-dimethoxy- Synonym
- 4,4-Dimethoxy-1-butanamine Synonym
- 4-Aminobutanal dimethyl acetal Synonym
- 4-Aminobutyraldehyde dimethyl acetal Synonym
- 4,4-Dimethoxybutylamine Synonym
- 4,4-Bis(methyloxy)butylamine Synonym
- γ-Aminobutyraldehyde dimethyl acetal Synonym
- 4,4-Dimethoxybutanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.19 g/mol | CAS Common Chemistry |
| 133.19100000000003 g/mol | RDKit | |
| 133.191 g/mol | RDKit | |
| Canonical SMILES | O(C)C(OC)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO2/c1-8-6(9-2)4-3-5-7/h6H,3-5,7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TYVAXMOICMBSMT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4-Dimethoxy-1-butanamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| 44.48 Ų | RDKit | |
| LogP | 0.3442000000000002 | RDKit |
| 0.3442 | RDKit | |
| Molar Refractivity | 36.09439999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 133.11027872 g/mol | RDKit |
| Boiling Point | 76-77 °C @ 18 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 133.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15NO2.
