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N-(Diphenylmethylene)Glycine Ethyl Ester
CAS: 69555-14-2 | C17H17NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69555-14-2
Molecular Formula:
C17H17NO2
Molecular Mass:
267.33 g/mol
Names and Synonyms:
N-(Diphenylmethylene)Glycine Ethyl Ester
Glycine, N-(diphenylmethylene)-, ethyl ester
Ethyl N-benzhydrylideneglycinate
Ethyl N-(diphenylmethylene)glycinate
N-(Diphenylmethylene)glycine ethyl ester
Ethyl (benzhydrylideneamino)acetate
NSC 263808
(Benzhydrylideneamino)acetic acid ethyl ester
Ethyl 2-[(diphenylmethylene)amino]acetate
N-(Diphenylmethylidene)glycine ethyl ester
Ethyl 2-(benzhydrylideneamino)acetate
Identifiers:
SMILES:
CCOC(=O)CN=C(c1ccccc1)c1ccccc1
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
Key Properties
Melting Point
50-52 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 | 267.33 g/mol | CAS Common Chemistry |
| 267.32800000000003 g/mol | RDKit | |
| 267.125928784 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 |
| Molar Refractivity | 80.02300000000005 | RDKit |
