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N-Phenyldiethanolamine
CAS: 120-07-0 | C10H15NO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
120-07-0
Molecular Formula:
C10H15NO2
Molecular Mass:
181.24 g/mol
Names and Synonyms:
N-Phenyldiethanolamine
Ethanol, 2,2′-(phenylimino)bis-
Ethanol, 2,2′-(phenylimino)di-
2,2′-(Phenylimino)bis[ethanol]
Diethanolaminobenzene
Diethanolaniline
N,N-Di(2-hydroxyethyl)aniline
2,2′-(Phenylimino)diethanol
N-Phenyldiethanolamine
Phenyldiethanolamine
N,N-Di(β-hydroxyethyl)aniline
N,N-Bis(2-hydroxyethyl)aniline
Phenylbis(2-hydroxyethyl)amine
N,N-Diethanolaniline
N-Phenyl-N,N-diethanolamine
Diethanolphenylamine
N,N-Bis(β-hydroxyethyl)aniline
[Bis(2-hydroxyethyl)amino]benzene
N-Phenyliminodiethanol
3-Phenyl-3-azapentane-1,5-diol
NSC 6327
2-[(2-Hydroxyethyl)phenylamino]ethanol
N,N-Dihydroxyethylaniline
N,N-Bis(2-hydroxyethyl)-N-phenylamine
Bis(2-hydroxyethyl)aniline
2,2′-(Phenylazanediyl)diethanol
2-[N-(2-Hydroxyethyl)anilino]ethanol
2-[(2-Hydroxyethyl)(phenyl)amino]ethan-1-ol
Identifiers:
SMILES:
OCCN(CCO)c1ccccc1
InChI:
InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
Key Properties
Boiling Point
200 °C
CAS Common Chemistry
Melting Point
57 °C
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 | 181.24 g/mol | CAS Common Chemistry |
| 181.235 g/mol | RDKit | |
| 181.11027872 g/mol | RDKit | |
| Boiling Point | 200 °C | CAS Common Chemistry |
| Canonical SMILES | OCCN(C=1C=CC=CC1)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OJPDDQSCZGTACX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57 °C | CAS Common Chemistry |
| Name | N-Phenyldiethanolamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.7 Ų | RDKit |
| LogP | 0.47759999999999986 | RDKit |
| Molar Refractivity | 52.82660000000004 | RDKit |
