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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
Names and Synonyms:
N-[3-(Diethylamino)Phenyl]Acetamide
Acetamide, N-[3-(diethylamino)phenyl]-
Acetanilide, 3′-(diethylamino)-
N-[3-(Diethylamino)phenyl]acetamide
3′-(Diethylamino)acetanilide
(m-Acetamidophenyl)diethylamine
3-(Acetylamino)-N,N-diethylaniline
C.I. Developer 9
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N-Acetyl-N′,N′-diethyl-1,3-benzenediamine
N,N-Diethyl-m-aminoacetanilide
3-Acetamido-N,N-diethylaniline
m-Acetamido-N,N-diethylaniline
N-Acetyl-N′,N′-diethyl-1,3-phenylenediamine
3-(Diethylamino)acetanilide
3-(N,N-Diethylamino)acetanilide
m-(Diethylamino)acetanilide
N-(3-Diethylaminophenyl)acetamide
N,N-Diethyl-m-acetaminoaniline
Identifiers:
SMILES:
CCN(CC)c1cccc(N=C(C)O)c1
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)
Key Properties
Melting Point
77-79 °C
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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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 | 206.29 g/mol | CAS Common Chemistry |
| 206.289 g/mol | RDKit | |
| 206.141913196 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 |
| LogP | 3.1407000000000007 | RDKit |
| Molar Refractivity | 65.40080000000005 | RDKit |
