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N,N-Dimethyl-1,1-Bis(Phenylmethoxy)Methanamine
CAS: 2016-04-8 | C17H21NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2016-04-8
Molecular Formula:
C17H21NO2
Molecular Mass:
271.36 g/mol
Names and Synonyms:
N,N-Dimethyl-1,1-Bis(Phenylmethoxy)Methanamine
Methanamine, N,N-dimethyl-1,1-bis(phenylmethoxy)-
Trimethylamine, 1,1-bis(benzyloxy)-
N,N-Dimethyl-1,1-bis(phenylmethoxy)methanamine
Formamide, N,N-dimethyl-, bis(phenylmethyl) acetal
Dimethylformamide dibenzyl acetal
N,N-Dimethylformamide dibenzyl acetal
DMF-dibenzyl acetal
Identifiers:
SMILES:
CN(C)C(OCc1ccccc1)OCc1ccccc1
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
Key Properties
Boiling Point
118-120 °C @ Press: 0.2 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 271.36 g/mol | CAS Common Chemistry |
| 271.157228912 g/mol | RDKit | |
| Boiling Point | 118-120 °C @ Press: 0.2 Torr | 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 |
| LogP | 3.265200000000002 | RDKit |
| Molar Refractivity | 79.93700000000005 | RDKit |
