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Molecule
L-Tryptophanol
CAS: 2899-29-8 · C11H14N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2899-29-8
- Molecular Formula
- C11H14N2O
- Molecular Mass
- 190.25 g/mol
Identifiers
CAS Registry Number
2899-29-8
SMILES
N[C@H](CO)Cc1c[nH]c2ccccc12
InChI Key
UDQCRUSSQAXPJY-VIFPVBQESA-N
InChI
InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1
Names and Synonyms
- L-Tryptophanol Common Name
- 1H-Indole-3-propanol, β-amino-, (βS)- Synonym
- Indole-3-propanol, β-amino-, L- Synonym
- 1H-Indole-3-propanol, β-amino-, (S)- Synonym
- (βS)-β-Amino-1H-indole-3-propanol Synonym
- L-Tryptophanol Synonym
- [(S)-2-Hydroxy-1-[(1H-indol-3-yl)methyl]ethyl]amine Synonym
- (S)-2-Amino-3-(1H-indol-3-yl)propan-1-ol Synonym
- (2S)-2-Amino-3-(1H-indol-3-yl)propan-1-ol Synonym
- (S)-Tryptophanol Synonym
- 1H-Indole-3-propanol β-amino-, (βS)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.25 g/mol | CAS Common Chemistry |
| 190.246 g/mol | RDKit | |
| 191.254 g/mol | chempirical lib | |
| Canonical SMILES | OCC(N)CC1=CNC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UDQCRUSSQAXPJY-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | 288-290 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | L-Tryptophanol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 62.04 Ų | RDKit |
| 58.25 Ų | chempirical lib | |
| LogP | 1.0299999999999996 | RDKit |
| 1.03 | RDKit | |
| Molar Refractivity | 57.063900000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| Exact Mass | 190.110613068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
External Resources
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MW = 190.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H14N2O.
