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Molecule
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
Identifiers
CAS Registry Number
150-30-1
SMILES
NC(Cc1ccccc1)C(=O)O
InChI Key
COLNVLDHVKWLRT-UHFFFAOYSA-N
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)
Names and Synonyms
- Dl-Phenylalanine Common Name
- 2-Azaniumyl-3-phenylpropanoate Synonym
- Phenylalanine Synonym
- Alanine, phenyl-, DL- Synonym
- Alanine, β-phenyl- Synonym
- DL-β-Phenyl-α-alanine Synonym
- DL-Phenylalanine Synonym
- DL-α-Amino-β-phenylpropionic acid Synonym
- (±)-Phenylalanine Synonym
- DL-3-Phenylalanine Synonym
- (±)-β-Phenyl-α-alanine Synonym
- DL-2-Amino-3-phenylpropionic acid Synonym
- (±)-3-Phenyl-2-aminopropanoic acid Synonym
- 2-Amino-3-phenylpropanoic acid Synonym
- NSC 9959 Synonym
- DLPA Synonym
- DL-2-Amino-3-phenylpropanoic acid Synonym
- DL-Phenylalanine Synonym
- DL-3-Phenylalanine Synonym
- DL-2-Amino-3-phenylpropionic acid Synonym
- DL-2-Amino-3-phenylpropanoic acid Synonym
- DL-beta-Phenyl-alpha-alanine Synonym
- DL-Phenylalanine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.19 g/mol | CAS Common Chemistry |
| 165.19199999999995 g/mol | RDKit | |
| 165.192 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 |
| 63.32 Ų | RDKit | |
| LogP | 0.641 | RDKit |
| Molar Refractivity | 45.75720000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 165.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 165.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO2.
