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L-Phenylalaninol
CAS: 3182-95-4 | C9H13NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
3182-95-4
Molecular Formula:
C9H13NO
Molecular Mass:
151.21 g/mol
Names and Synonyms:
L-Phenylalaninol
Benzenepropanol, β-amino-, (βS)-
1-Propanol, 2-amino-3-phenyl-, L-
Benzenepropanol, β-amino-, (S)-
(βS)-β-Aminobenzenepropanol
l-Phenylalaninol
L-2-Amino-3-phenylpropanol
(S)-2-Amino-3-phenyl-1-propanol
(S)-(-)-Phenylalaninol
L-Phenylalaninol
(-)-2-Amino-3-phenylpropanol
(S)-2-Amino-3-phenylpropanol
(S)-2-Benzylethanolamine
(S)-2-Amino-1-phenyl-3-propanol
(S)-2-Amino-2-benzylethanol
(S)-Phenylalaninol
(S)-2-Amino-1-hydroxy-3-phenylpropane
(S)-(-)-2-Amino-3-phenyl-1-propanol
(2S)-2-Amino-3-phenyl-1-propanol
S-(-)-2-Amino-3-phenylpropanol
(2S)-2-Amino-3-phenyl-1-propanol
(S)-(-)-2-Amino-3-phenyl-1-glycinol
[(S)-1-Benzyl-2-hydroxyethyl]amine
(2S)-3-Phenyl-2-amino-1-propanol
(S)-3-Phenyl-2-amino-1-propanol
L-(-)-2-Amino-3-phenyl-1-propanol
((1S)-1-Hydroxymethyl-2-phenylethyl)amine
N-((2S)-1-Hydroxy-3-phenylpropan-2-yl)amine
L-2-Amino-3-phenyl-1-propanol
L-Phenylalanilol
PAL 329
Identifiers:
SMILES:
N[C@H](CO)Cc1ccccc1
InChI:
InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
Key Properties
Melting Point
85-86 °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 | 151.21 g/mol | CAS Common Chemistry |
| 151.209 g/mol | RDKit | |
| 151.099714036 g/mol | RDKit | |
| Canonical SMILES | OCC(N)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=STVVMTBJNDTZBF-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | 85-86 °C | CAS Common Chemistry |
| Name | L-Phenylalaninol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 0.5486999999999999 | RDKit |
| Molar Refractivity | 45.20720000000003 | RDKit |
