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Molecule
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
Identifiers
CAS Registry Number
112068-01-6
SMILES
OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChI Key
OGCGXUGBDJGFFY-INIZCTEOSA-N
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
Names and Synonyms
- Α,Α-Diphenyl-L-Prolinol Synonym
- 2-Pyrrolidinemethanol, α,α-diphenyl-, (2S)- Synonym
- 2-Pyrrolidinemethanol, α,α-diphenyl-, (S)- Synonym
- (2S)-α,α-Diphenyl-2-pyrrolidinemethanol Synonym
- (S)-(-)-2-(Diphenylhydroxymethyl)pyrrolidine Synonym
- (S)-α,α-Diphenyl-2-pyrrolidinemethanol Synonym
- (-)-2-(Diphenylhydroxymethyl)pyrrolidine Synonym
- (S)-α,α-Diphenylprolinol Synonym
- (-)-α,α-Diphenylprolinol Synonym
- (S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol Synonym
- (S)-2-(Diphenylhydroxymethyl)pyrrolidine Synonym
- (-)-α,α-Diphenyl-2-pyrrolidinemethanol Synonym
- (S)-α,α-Diphenylpyrrolidin-2-ylmethanol Synonym
- (S)-2-(Hydroxydiphenylmethyl)pyrrolidine Synonym
- (S)-Diphenyl(pyrrolidin-2-yl)methanol Synonym
- α,α-Diphenyl-L-prolinol Synonym
- (S)-α,α-Diphenylpyrrolidinemethanol Synonym
- (S)-(-)-α,α-Diphenylprolinol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 253.34 g/mol | CAS Common Chemistry |
| 253.34499999999997 g/mol | RDKit | |
| 253.345 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 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 253.146664228 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 253.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H19NO.
