Back to Search
1-Methyl-2-Pyrrolidineethanol
CAS: 67004-64-2 | C7H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67004-64-2
Molecular Formula:
C7H15NO
Molecular Weight:
129.203 g/mol
Names and Synonyms:
1-Methyl-2-Pyrrolidineethanol
2-Pyrrolidineethanol, 1-methyl-
1-Methyl-2-pyrrolidineethanol
2-(2-Hydroxyethyl)-1-methylpyrrolidine
2-(2-Hydroxyethyl)-N-methylpyrrolidine
2-[N-Methylpyrrolidin-2-yl]ethanol
N-Methyl-2-(2-hydroxyethyl)pyrrolidine
2-(1-Methylpyrrolidin-2-yl)ethanol
N-Methyl-2-pyrrolidineethanol
2-(1-Methylpyrrolidin-2-yl)ethan-1-ol
Identifiers:
SMILES:
CN1CCCC1CCO
InChI:
InChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 129.203 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.1153641 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 129.20 g/mol | Legacy Database |
| cas-boiling-point | 110-112 °C @ Press: 14 Torr None | Legacy Database |
| cas-canonical-smile | OCCC1N(C)CCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FYVMBPXFPFAECB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-Methyl-2-pyrrolidineethanol None | Legacy Database |
| LogP | 0.4629999999999999 | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 23.47 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.3548 | RDKit |
