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1-Aziridineethanol
CAS: 1072-52-2 | C4H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1072-52-2
Molecular Formula:
C4H9NO
Molecular Mass:
87.12 g/mol
Names and Synonyms:
1-Aziridineethanol
1-Aziridineethanol
1-(2-Hydroxyethyl)ethylenimine
N-(2-Hydroxyethyl)aziridine
N-(2-Hydroxyethyl)ethylenimine
N-(β-Hydroxyethyl)aziridine
2-(Aziridin-1-yl)ethanol
NSC 50209
1-(2-Hydroxylethyl)aziridine
2-(Aziridin-1-yl)ethan-1-ol
Identifiers:
SMILES:
OCCN1CC1
InChI:
InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2
Key Properties
Boiling Point
154-156 °C @ Press: 760 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 | 87.12 g/mol | CAS Common Chemistry |
| 87.122 g/mol | RDKit | |
| 87.068413908 g/mol | RDKit | |
| Boiling Point | 154-156 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCN1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VYONOYYDEFODAJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Aziridineethanol | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.240000000000002 Ų | RDKit |
| LogP | -0.7057000000000002 | RDKit |
| Molar Refractivity | 23.52579999999999 | RDKit |
