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L-Prolinol
CAS: 23356-96-9 | C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23356-96-9
Molecular Formula:
C5H11NO
Molecular Weight:
101.14900000000002 g/mol
Names and Synonyms:
L-Prolinol
(2S)-2-(Hydroxymethyl)pyrrolidine
(2S)-2-Pyrrolidinemethanol
(2S)-Pyrrolidin-2-ylmethanol
[(2S)-Pyrrolidin-2-yl]methanol
[(S)-Pyrrolidin-2-yl]methanol
2-(S)-(Hydroxymethyl)pyrrolidine
(S)-1-(Pyrrolidin-2-yl)methanol
L-(+)-Prolinol
(S)-2-(Hydroxymethyl)pyrrolidine
(S)-(+)-Pyrrolidin-2-ylmethanol
(S)-(+)-2-Pyrrolidinemethanol
(S)-2-Pyrrolidinemethanol
(2S)-2-(Hydroxymethyl)pyrrolidine
(+)-2-Pyrrolidinemethanol
(S)-Prolinol
(S)-(+)-2-(Hydroxymethyl)pyrrolidine
(S)-(+)-Prolinol
L-Prolinol
L-2-(Hydroxymethyl)pyrrolidine
L-(+)-2-Pyrrolidinylmethanol
(2S)-2-Pyrrolidinemethanol
2-Pyrrolidinemethanol, (S)-
2-Pyrrolidinemethanol, (S)-(+)-
2-Pyrrolidinemethanol, (2S)-
Identifiers:
SMILES:
OC[C@@H]1CCCN1
InChI:
InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 101.15 g/mol | Legacy Database |
| density | 1.03 g/cm³ | Legacy Database |
| cas-boiling-point | 100-105 °C @ Press: 9 Torr None | Legacy Database |
| cas-canonical-smile | OCC1NCCC1 None | Legacy Database |
| cas-density | 1.025 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=HVVNJUAVDAZWCB-YFKPBYRVSA-N None | Legacy Database |
| cas-melting-point | 73-76 °C @ Solvent: Ethyl acetate, Hexane None | Legacy Database |
| cas-name | L-Prolinol None | Legacy Database |
| LogP | -0.26930000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 101.14900000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.26 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.11049999999999 | RDKit |
