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Molecule
N-(Diphenylmethylene)Glycine Ethyl Ester
CAS: 69555-14-2 · C17H17NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 69555-14-2
- Molecular Formula
- C17H17NO2
- Molecular Mass
- 267.33 g/mol
Identifiers
CAS Registry Number
69555-14-2
SMILES
CCOC(=O)CN=C(c1ccccc1)c1ccccc1
InChI Key
QUGJYNGNUBHTNS-UHFFFAOYSA-N
InChI
InChI=1S/C17H17NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
Names and Synonyms
- N-(Diphenylmethylene)Glycine Ethyl Ester Common Name
- Glycine, N-(diphenylmethylene)-, ethyl ester Synonym
- Ethyl N-benzhydrylideneglycinate Synonym
- Ethyl N-(diphenylmethylene)glycinate Synonym
- N-(Diphenylmethylene)glycine ethyl ester Synonym
- Ethyl (benzhydrylideneamino)acetate Synonym
- NSC 263808 Synonym
- (Benzhydrylideneamino)acetic acid ethyl ester Synonym
- Ethyl 2-[(diphenylmethylene)amino]acetate Synonym
- N-(Diphenylmethylidene)glycine ethyl ester Synonym
- Ethyl 2-(benzhydrylideneamino)acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.33 g/mol | CAS Common Chemistry |
| 267.32800000000003 g/mol | RDKit | |
| 267.328 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC)CN=C(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C17H17NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QUGJYNGNUBHTNS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 50-52 °C | CAS Common Chemistry |
| Name | N-(Diphenylmethylene)glycine ethyl ester | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 38.66 Ų | RDKit |
| LogP | 3.0871000000000013 | RDKit |
| 3.0871 | RDKit | |
| Molar Refractivity | 80.02300000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1765 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 267.125928784 g/mol | RDKit |
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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20
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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 = 267.33 g/mol. Edit any field — others recompute live.
