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Molecule
N,N-Dimethyl-1,1-Bis(1-Methylethoxy)Methanamine
CAS: 18503-89-4 · C9H21NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18503-89-4
- Molecular Formula
- C9H21NO2
- Molecular Mass
- 175.27 g/mol
Identifiers
CAS Registry Number
18503-89-4
SMILES
CC(C)OC(OC(C)C)N(C)C
InChI Key
XOZZATXWQMOVHL-UHFFFAOYSA-N
InChI
InChI=1S/C9H21NO2/c1-7(2)11-9(10(5)6)12-8(3)4/h7-9H,1-6H3
Names and Synonyms
- N,N-Dimethyl-1,1-Bis(1-Methylethoxy)Methanamine Systematic Name
- Methanamine, N,N-dimethyl-1,1-bis(1-methylethoxy)- Synonym
- Trimethylamine, 1,1-diisopropoxy- Synonym
- N,N-Dimethyl-1,1-bis(1-methylethoxy)methanamine Synonym
- Dimethylformamide diisopropyl acetal Synonym
- N,N-Dimethylformamide diisopropyl acetal Synonym
- DMF diisopropyl acetal Synonym
- N,N-Dimethylformamide diisopropyl acetal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 175.27 g/mol | CAS Common Chemistry |
| 175.272 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8522 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O(C(OC(C)C)N(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H21NO2/c1-7(2)11-9(10(5)6)12-8(3)4/h7-9H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XOZZATXWQMOVHL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Dimethyl-1,1-bis(1-methylethoxy)methanamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | 1.6816 | RDKit |
| Molar Refractivity | 49.91700000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 175.157228912 g/mol | RDKit |
| Boiling Point | 152-155 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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40
20
0 ppm
| 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 = 175.27 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H21NO2.
