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Molecule
N,N-Dimethyl-1,1-Bis(Phenylmethoxy)Methanamine
CAS: 2016-04-8 · C17H21NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2016-04-8
- Molecular Formula
- C17H21NO2
- Molecular Mass
- 271.36 g/mol
Identifiers
CAS Registry Number
2016-04-8
SMILES
CN(C)C(OCc1ccccc1)OCc1ccccc1
InChI Key
JFIKHFNGAURIIB-UHFFFAOYSA-N
InChI
InChI=1S/C17H21NO2/c1-18(2)17(19-13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
Names and Synonyms
- N,N-Dimethyl-1,1-Bis(Phenylmethoxy)Methanamine Systematic Name
- Methanamine, N,N-dimethyl-1,1-bis(phenylmethoxy)- Synonym
- Trimethylamine, 1,1-bis(benzyloxy)- Synonym
- N,N-Dimethyl-1,1-bis(phenylmethoxy)methanamine Synonym
- Formamide, N,N-dimethyl-, bis(phenylmethyl) acetal Synonym
- Dimethylformamide dibenzyl acetal Synonym
- N,N-Dimethylformamide dibenzyl acetal Synonym
- DMF-dibenzyl acetal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 271.36 g/mol | CAS Common Chemistry |
| Canonical SMILES | O(CC=1C=CC=CC1)C(OCC=2C=CC=CC2)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H21NO2/c1-18(2)17(19-13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JFIKHFNGAURIIB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Dimethyl-1,1-bis(phenylmethoxy)methanamine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | 3.265200000000002 | RDKit |
| 3.2652 | RDKit | |
| 3.31 | chempirical lib | |
| Molar Refractivity | 79.93700000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 271.157228912 g/mol | RDKit |
| Boiling Point | 118-120 °C @ 0.2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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.
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MW = 271.36 g/mol. Edit any field — others recompute live.
