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Molecule
2,2′-[(3-Chlorophenyl)Imino]Bis[Ethanol]
CAS: 92-00-2 · C10H14ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 92-00-2
- Molecular Formula
- C10H14ClNO2
- Molecular Mass
- 215.68 g/mol
Identifiers
CAS Registry Number
92-00-2
SMILES
OCCN(CCO)c1cccc(Cl)c1
InChI Key
MVQUJEUCFOGFJU-UHFFFAOYSA-N
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
Names and Synonyms
- 2,2′-[(3-Chlorophenyl)Imino]Bis[Ethanol] Synonym
- 2,2′-((3-Chlorophenyl)azanediyl)diethanol Synonym
- 2-[(3-Chlorophenyl)(2-hydroxyethyl)amino]ethan-1-ol Synonym
- 2-[3-Chloro-N-(2-hydroxyethyl)anilino]ethanol Synonym
- Ethanol, 2,2′-[(3-chlorophenyl)imino]bis- Synonym
- Ethanol, 2,2′-[(m-chlorophenyl)imino]di- Synonym
- 2,2′-[(3-Chlorophenyl)imino]bis[ethanol] Synonym
- N-(3-Chlorophenyl)diethanolamine Synonym
- 2,2′-[(m-Chlorophenyl)imino]diethanol Synonym
- N-(m-Chlorophenyl)diethanolamine Synonym
- 3-Chloro-N,N-bis(2-hydroxyethyl)aniline Synonym
- N,N-Bis(hydroxyethyl)-3-chloroaniline Synonym
- N,N-Bis(β-hydroxyethyl)-m-chloroaniline Synonym
- m-Chloro-N,N-bis-β-hydroxyethylaniline Synonym
- N,N-Bis(2-hydroxyethyl)-m-chloroaniline Synonym
- m-Chloro-N,N-bis(2-hydroxyethyl)aniline Synonym
- N,N-Bis(2-hydroxyethyl)-3-chloroaniline Synonym
- NSC 58170 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.68 g/mol | CAS Common Chemistry |
| 215.677 g/mol | chempirical lib | |
| 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 |
| 43.47 Ų | chempirical lib | |
| LogP | 1.1309999999999998 | RDKit |
| 1.131 | RDKit | |
| Molar Refractivity | 57.83660000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 215.071306368 g/mol | RDKit |
| Boiling Point | 208-213 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 215.68 g/mol. Edit any field — others recompute live.
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