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5-Aminolevulinic Acid
CAS: 106-60-5 | C5H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
106-60-5
Molecular Formula:
C5H9NO3
Molecular Mass:
131.13 g/mol
Names and Synonyms:
5-Aminolevulinic Acid
Pentanoic acid, 5-amino-4-oxo-
Levulinic acid, 5-amino-
5-Amino-4-oxopentanoic acid
δ-Aminolevulinic acid
5-Aminolevulinic acid
Aminolevulinic acid
Aladerm
Kerastick
Alasens
Levulan
5-ALA
Pentakeep S
Pentakeep V
BF 200ALA
Identifiers:
SMILES:
NCC(=O)CCC(=O)O
InChI:
InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
Key Properties
Melting Point
118-119 °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 | 131.13 g/mol | CAS Common Chemistry |
| 131.131 g/mol | RDKit | |
| 131.058243148 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(=O)CN | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=ZGXJTSGNIOSYLO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-119 °C | CAS Common Chemistry |
| Name | 5-Aminolevulinic acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.39 Ų | RDKit |
| LogP | -0.6210000000000004 | RDKit |
| Molar Refractivity | 30.931199999999993 | RDKit |
