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Molecule
N,N-Bis(1-Methylethyl)Benzamide
CAS: 20383-28-2 · C13H19NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20383-28-2
- Molecular Formula
- C13H19NO
- Molecular Mass
- 205.30 g/mol
Identifiers
CAS Registry Number
20383-28-2
SMILES
CC(C)N(C(=O)c1ccccc1)C(C)C
InChI Key
UYXMMJPYFKRKKM-UHFFFAOYSA-N
InChI
InChI=1S/C13H19NO/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12/h5-11H,1-4H3
Names and Synonyms
- N,N-Bis(1-Methylethyl)Benzamide Synonym
- Benzamide, N,N-bis(1-methylethyl)- Synonym
- Benzamide, N,N-diisopropyl- Synonym
- N,N-Bis(1-methylethyl)benzamide Synonym
- N,N-Diisopropylbenzamide Synonym
- NSC 6912 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.30 g/mol | CAS Common Chemistry |
| 205.301 g/mol | RDKit | |
| 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 |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 2.9456000000000016 | RDKit |
| 2.9456 | RDKit | |
| 3.05 | chempirical lib | |
| Molar Refractivity | 62.88350000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4615 | RDKit |
| 0.46 | chempirical lib | |
| Exact Mass | 205.146664228 g/mol | RDKit |
| Boiling Point | 164-174 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| 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.
External Resources
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MW = 205.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H19NO.
