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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 Mass:
101.15 g/mol
Names and Synonyms:
L-Prolinol
2-Pyrrolidinemethanol, (2S)-
2-Pyrrolidinemethanol, (S)-(+)-
2-Pyrrolidinemethanol, (S)-
(2S)-2-Pyrrolidinemethanol
L-(+)-2-Pyrrolidinylmethanol
L-2-(Hydroxymethyl)pyrrolidine
L-Prolinol
(S)-(+)-Prolinol
(S)-(+)-2-(Hydroxymethyl)pyrrolidine
(S)-Prolinol
(+)-2-Pyrrolidinemethanol
(2S)-2-(Hydroxymethyl)pyrrolidine
(S)-2-Pyrrolidinemethanol
(S)-(+)-2-Pyrrolidinemethanol
(S)-(+)-Pyrrolidin-2-ylmethanol
(S)-2-(Hydroxymethyl)pyrrolidine
L-(+)-Prolinol
(S)-1-(Pyrrolidin-2-yl)methanol
2-(S)-(Hydroxymethyl)pyrrolidine
[(S)-Pyrrolidin-2-yl]methanol
[(2S)-Pyrrolidin-2-yl]methanol
(2S)-Pyrrolidin-2-ylmethanol
(2S)-2-Pyrrolidinemethanol
(2S)-2-(Hydroxymethyl)pyrrolidine
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
Key Properties
Boiling Point
100-105 °C @ Press: 9 Torr
CAS Common Chemistry
Melting Point
73-76 °C @ Solvent: Ethyl acetate, Hexane
CAS Common Chemistry
Density
1.03 g/cm³
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 | 101.15 g/mol | CAS Common Chemistry |
| 101.14900000000002 g/mol | RDKit | |
| 101.084063972 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.025 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 100-105 °C @ Press: 9 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC1NCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HVVNJUAVDAZWCB-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 73-76 °C @ Solvent: Ethyl acetate, Hexane | CAS Common Chemistry |
| Name | L-Prolinol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | -0.26930000000000004 | RDKit |
| Molar Refractivity | 28.11049999999999 | RDKit |
