Back to Search
4-Amino-L-Phenylalanine
CAS: 943-80-6 | C9H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
943-80-6
Molecular Formula:
C9H12N2O2
Molecular Mass:
180.21 g/mol
Names and Synonyms:
4-Amino-L-Phenylalanine
L-Phenylalanine, 4-amino-
Alanine, 3-(p-aminophenyl)-, L-
4-Amino-L-phenylalanine
L-(+)-p-Aminophenylalanine
4-Aminophenylalanine
p-Amino-L-phenylalanine
L-4-Aminophenylalanine
Aminophenylalanine
p-Aminophenylalanine
(S)-2-Amino-3-(4-aminophenyl)propionic acid
(2S)-2-Amino-3-(4-aminophenyl)propanoic acid
Identifiers:
SMILES:
Nc1ccc(C[C@H](N)C(=O)O)cc1
InChI:
InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1
Key Properties
Melting Point
265 °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 | 180.21 g/mol | CAS Common Chemistry |
| 180.20700000000002 g/mol | RDKit | |
| 180.089877624 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CC1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CMUHFUGDYMFHEI-QMMMGPOBSA-N | CAS Common Chemistry |
| Melting Point | 265 °C (decomp) | CAS Common Chemistry |
| Name | 4-Amino-L-phenylalanine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 89.34 Ų | RDKit |
| LogP | 0.22319999999999962 | RDKit |
| Molar Refractivity | 50.1696 | RDKit |
