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2,2′-[(3-Chlorophenyl)Imino]Bis[Ethanol]
CAS: 92-00-2 | C10H14ClNO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
92-00-2
Molecular Formula:
C10H14ClNO2
Molecular Mass:
215.68 g/mol
Names and Synonyms:
2,2′-[(3-Chlorophenyl)Imino]Bis[Ethanol]
2,2′-((3-Chlorophenyl)azanediyl)diethanol
2-[(3-Chlorophenyl)(2-hydroxyethyl)amino]ethan-1-ol
2-[3-Chloro-N-(2-hydroxyethyl)anilino]ethanol
Ethanol, 2,2′-[(3-chlorophenyl)imino]bis-
Ethanol, 2,2′-[(m-chlorophenyl)imino]di-
2,2′-[(3-Chlorophenyl)imino]bis[ethanol]
N-(3-Chlorophenyl)diethanolamine
2,2′-[(m-Chlorophenyl)imino]diethanol
N-(m-Chlorophenyl)diethanolamine
3-Chloro-N,N-bis(2-hydroxyethyl)aniline
N,N-Bis(hydroxyethyl)-3-chloroaniline
N,N-Bis(β-hydroxyethyl)-m-chloroaniline
m-Chloro-N,N-bis-β-hydroxyethylaniline
N,N-Bis(2-hydroxyethyl)-m-chloroaniline
m-Chloro-N,N-bis(2-hydroxyethyl)aniline
N,N-Bis(2-hydroxyethyl)-3-chloroaniline
NSC 58170
Identifiers:
SMILES:
OCCN(CCO)c1cccc(Cl)c1
InChI:
InChI=1S/C10H14ClNO2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7H2
Key Properties
Boiling Point
208-213 °C @ Press: 4 Torr
CAS Common Chemistry
Melting Point
88-92 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.68 g/mol | CAS Common Chemistry |
| 215.071306368 g/mol | RDKit | |
| Boiling Point | 208-213 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=CC(=C1)N(CCO)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H14ClNO2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MVQUJEUCFOGFJU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88-92 °C | CAS Common Chemistry |
| Name | 2,2′-[(3-Chlorophenyl)imino]bis[ethanol] | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 1.1309999999999998 | RDKit |
| Molar Refractivity | 57.83660000000004 | RDKit |
