Back to Search
N-[3-[Bis(2-Hydroxyethyl)Amino]Phenyl]Acetamide
CAS: 92-02-4 | C12H18N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
92-02-4
Molecular Formula:
C12H18N2O3
Molecular Mass:
238.29 g/mol
Names and Synonyms:
N-[3-[Bis(2-Hydroxyethyl)Amino]Phenyl]Acetamide
Acetamide, N-[3-[bis(2-hydroxyethyl)amino]phenyl]-
Acetanilide, 3′-[bis(2-hydroxyethyl)amino]-
N-[3-[Bis(2-hydroxyethyl)amino]phenyl]acetamide
3′-[Bis(2-hydroxyethyl)amino]acetanilide
3-Acetylamino-N,N-di(β-hydroxyethyl)aniline
m-[Bis(2-hydroxyethyl)amino]acetanilide
N,N-Bis(β-hydroxyethyl)-m-(acetylamino)aniline
3-Acetamido-N,N-bis(2-hydroxyethyl)aniline
3-(Acetylamino)-N,N-bis(2-hydroxyethyl)aniline
m-Acetamido-N,N-bis(2-hydroxyethyl)aniline
Identifiers:
SMILES:
CC(O)=Nc1cccc(N(CCO)CCO)c1
InChI:
InChI=1S/C12H18N2O3/c1-10(17)13-11-3-2-4-12(9-11)14(5-7-15)6-8-16/h2-4,9,15-16H,5-8H2,1H3,(H,13,17)
Key Properties
Melting Point
116 °C @ Solvent: Water
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 | 238.29 g/mol | CAS Common Chemistry |
| 238.28699999999992 g/mol | RDKit | |
| 238.131742436 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=CC(=C1)N(CCO)CCO)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H18N2O3/c1-10(17)13-11-3-2-4-12(9-11)14(5-7-15)6-8-16/h2-4,9,15-16H,5-8H2,1H3,(H,13,17) | CAS Common Chemistry |
| InChI Key | InChIKey=BPAFLIGSSPTQHU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116 °C @ Solvent: Water | CAS Common Chemistry |
| Name | N-[3-[Bis(2-hydroxyethyl)amino]phenyl]acetamide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 76.29 Ų | RDKit |
| LogP | 1.0854999999999997 | RDKit |
| Molar Refractivity | 68.22440000000003 | RDKit |
