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Molecule
N-[3-(Diethylamino)Phenyl]Acetamide
CAS: 6375-46-8 · C12H18N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6375-46-8
- Molecular Formula
- C12H18N2O
- Molecular Mass
- 206.29 g/mol
Identifiers
CAS Registry Number
6375-46-8
SMILES
CCN(CC)c1cccc(N=C(C)O)c1
InChI Key
FPUKYOSOAAPHTN-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)
Names and Synonyms
- N-[3-(Diethylamino)Phenyl]Acetamide Common Name
- Acetamide, N-[3-(diethylamino)phenyl]- Synonym
- Acetanilide, 3′-(diethylamino)- Synonym
- N-[3-(Diethylamino)phenyl]acetamide Synonym
- 3′-(Diethylamino)acetanilide Synonym
- (m-Acetamidophenyl)diethylamine Synonym
- 3-(Acetylamino)-N,N-diethylaniline Synonym
- C.I. Developer 9 Synonym
- Serisol Navy Blue Developer RD Synonym
- N-Acetyl-N′,N′-diethyl-1,3-benzenediamine Synonym
- N,N-Diethyl-m-aminoacetanilide Synonym
- 3-Acetamido-N,N-diethylaniline Synonym
- m-Acetamido-N,N-diethylaniline Synonym
- N-Acetyl-N′,N′-diethyl-1,3-phenylenediamine Synonym
- 3-(Diethylamino)acetanilide Synonym
- 3-(N,N-Diethylamino)acetanilide Synonym
- m-(Diethylamino)acetanilide Synonym
- N-(3-Diethylaminophenyl)acetamide Synonym
- N,N-Diethyl-m-acetaminoaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.29 g/mol | CAS Common Chemistry |
| 206.289 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=CC(=C1)N(CC)CC)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15) | CAS Common Chemistry |
| InChI Key | InChIKey=FPUKYOSOAAPHTN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 77-79 °C | CAS Common Chemistry |
| Name | N-[3-(Diethylamino)phenyl]acetamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.83 Ų | RDKit |
| 35.6 Ų | chempirical lib | |
| LogP | 3.1407000000000007 | RDKit |
| 3.1407 | RDKit | |
| Molar Refractivity | 65.40080000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4167 | RDKit |
| 0.42 | chempirical lib | |
| Exact Mass | 206.141913196 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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 = 206.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H18N2O.
