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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
Names and Synonyms:
L-Tryptophanol
1H-Indole-3-propanol, β-amino-, (βS)-
Indole-3-propanol, β-amino-, L-
1H-Indole-3-propanol, β-amino-, (S)-
(βS)-β-Amino-1H-indole-3-propanol
L-Tryptophanol
[(S)-2-Hydroxy-1-[(1H-indol-3-yl)methyl]ethyl]amine
(S)-2-Amino-3-(1H-indol-3-yl)propan-1-ol
(2S)-2-Amino-3-(1H-indol-3-yl)propan-1-ol
(S)-Tryptophanol
1H-Indole-3-propanol β-amino-, (βS)-
Identifiers:
SMILES:
N[C@H](CO)Cc1c[nH]c2ccccc12
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
Key Properties
Melting Point
288-290 °C @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.25 g/mol | CAS Common Chemistry |
| 190.246 g/mol | RDKit | |
| 190.110613068 g/mol | RDKit | |
| 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 |
| LogP | 1.0299999999999996 | RDKit |
| Molar Refractivity | 57.063900000000025 | RDKit |
