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2-[(4-Aminopentyl)Ethylamino]Ethanol
CAS: 69559-11-1 | C9H22N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69559-11-1
Molecular Formula:
C9H22N2O
Molecular Mass:
174.29 g/mol
Names and Synonyms:
2-[(4-Aminopentyl)Ethylamino]Ethanol
Ethanol, 2-[(4-aminopentyl)ethylamino]-
2-[(4-Aminopentyl)ethylamino]ethanol
(±)-2-[(4-Aminopentyl)ethylamino]ethanol
5-[N-Ethyl-N-(2-hydroxyethyl)amino]-2-aminopentane
N-Ethyl-N-(2-hydroxyethyl)-4-aminopentylamine
2-[(4-Aminopentyl)(ethyl)amino]ethan-1-ol
Identifiers:
SMILES:
CCN(CCO)CCCC(C)N
InChI:
InChI=1S/C9H22N2O/c1-3-11(7-8-12)6-4-5-9(2)10/h9,12H,3-8,10H2,1-2H3
Key Properties
Boiling Point
93 °C @ Press: 0.6 Torr
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 | 174.29 g/mol | CAS Common Chemistry |
| 174.28799999999998 g/mol | RDKit | |
| 174.173213324 g/mol | RDKit | |
| Boiling Point | 93 °C @ Press: 0.6 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCN(CC)CCCC(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H22N2O/c1-3-11(7-8-12)6-4-5-9(2)10/h9,12H,3-8,10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XUVXSSOPXQRCGL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[(4-Aminopentyl)ethylamino]ethanol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.489999999999995 Ų | RDKit |
| LogP | 0.4279999999999998 | RDKit |
| Molar Refractivity | 52.083200000000026 | RDKit |
