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Α,Α-Diphenyl-L-Prolinol
CAS: 112068-01-6 | C17H19NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
112068-01-6
Molecular Formula:
C17H19NO
Molecular Mass:
253.34 g/mol
Names and Synonyms:
Α,Α-Diphenyl-L-Prolinol
2-Pyrrolidinemethanol, α,α-diphenyl-, (2S)-
2-Pyrrolidinemethanol, α,α-diphenyl-, (S)-
(2S)-α,α-Diphenyl-2-pyrrolidinemethanol
(S)-(-)-2-(Diphenylhydroxymethyl)pyrrolidine
(S)-α,α-Diphenyl-2-pyrrolidinemethanol
(-)-2-(Diphenylhydroxymethyl)pyrrolidine
(S)-α,α-Diphenylprolinol
(-)-α,α-Diphenylprolinol
(S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol
(S)-2-(Diphenylhydroxymethyl)pyrrolidine
(-)-α,α-Diphenyl-2-pyrrolidinemethanol
(S)-α,α-Diphenylpyrrolidin-2-ylmethanol
(S)-2-(Hydroxydiphenylmethyl)pyrrolidine
(S)-Diphenyl(pyrrolidin-2-yl)methanol
α,α-Diphenyl-L-prolinol
(S)-α,α-Diphenylpyrrolidinemethanol
(S)-(-)-α,α-Diphenylprolinol
Identifiers:
SMILES:
OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChI:
InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m0/s1
Key Properties
Melting Point
73-75 °C
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 | 253.34 g/mol | CAS Common Chemistry |
| 253.34499999999997 g/mol | RDKit | |
| 253.146664228 g/mol | RDKit | |
| Canonical SMILES | OC(C=1C=CC=CC1)(C=2C=CC=CC2)C3NCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OGCGXUGBDJGFFY-INIZCTEOSA-N | CAS Common Chemistry |
| Melting Point | 73-75 °C | CAS Common Chemistry |
| Name | α,α-Diphenyl-L-prolinol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 2.6745 | RDKit |
| Molar Refractivity | 76.90750000000004 | RDKit |
