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N,N-Bis(1-Methylethyl)Benzamide
CAS: 20383-28-2 | C13H19NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20383-28-2
Molecular Formula:
C13H19NO
Molecular Mass:
205.30 g/mol
Names and Synonyms:
N,N-Bis(1-Methylethyl)Benzamide
Benzamide, N,N-bis(1-methylethyl)-
Benzamide, N,N-diisopropyl-
N,N-Bis(1-methylethyl)benzamide
N,N-Diisopropylbenzamide
NSC 6912
Identifiers:
SMILES:
CC(C)N(C(=O)c1ccccc1)C(C)C
InChI:
InChI=1S/C13H19NO/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12/h5-11H,1-4H3
Key Properties
Boiling Point
164-174 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
69-714 °C @ Solvent: Ligroine
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 205.30 g/mol | CAS Common Chemistry |
| 205.301 g/mol | RDKit | |
| 205.146664228 g/mol | RDKit | |
| Boiling Point | 164-174 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)N(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H19NO/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12/h5-11H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UYXMMJPYFKRKKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69-714 °C @ Solvent: Ligroine | CAS Common Chemistry |
| Name | N,N-Bis(1-methylethyl)benzamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 2.9456000000000016 | RDKit |
| Molar Refractivity | 62.88350000000005 | RDKit |
