Back to Search
Dl-Phenylalanine
CAS: 150-30-1 | C9H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
150-30-1
Molecular Formula:
C9H11NO2
Molecular Mass:
165.19 g/mol
Names and Synonyms:
Dl-Phenylalanine
Phenylalanine
Alanine, phenyl-, DL-
Alanine, β-phenyl-
DL-β-Phenyl-α-alanine
DL-Phenylalanine
DL-α-Amino-β-phenylpropionic acid
(±)-Phenylalanine
DL-3-Phenylalanine
(±)-β-Phenyl-α-alanine
DL-2-Amino-3-phenylpropionic acid
(±)-3-Phenyl-2-aminopropanoic acid
2-Amino-3-phenylpropanoic acid
NSC 9959
DLPA
DL-2-Amino-3-phenylpropanoic acid
DL-Phenylalanine
DL-3-Phenylalanine
DL-2-Amino-3-phenylpropionic acid
DL-2-Amino-3-phenylpropanoic acid
DL-beta-Phenyl-alpha-alanine
DL-Phenylalanine
2-Azaniumyl-3-phenylpropanoate
Identifiers:
SMILES:
NC(Cc1ccccc1)C(=O)O
InChI:
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
Key Properties
Melting Point
186 °C (decomp)
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 | 165.19 g/mol | CAS Common Chemistry |
| 165.19199999999995 g/mol | RDKit | |
| 165.078978592 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=COLNVLDHVKWLRT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 186 °C (decomp) | CAS Common Chemistry |
| Name | DL-Phenylalanine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 0.641 | RDKit |
| Molar Refractivity | 45.75720000000002 | RDKit |
