Back to Search
Arginine Aspartate
CAS: 7675-83-4 | C10H21N5O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7675-83-4
Molecular Formula:
C10H21N5O6
Molecular Mass:
307.31 g/mol
Names and Synonyms:
Arginine Aspartate
L-Aspartic acid, compd. with L-arginine (1:1)
Aspartic acid, L-, compd. with L-arginine (1:1)
Arginine, L-, L-aspartate (1:1)
L-Arginine, L-aspartate (1:1)
Arginine aspartate
Identifiers:
SMILES:
N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
InChI:
InChI=1S/C6H14N4O2.C4H7NO4/c7-4(5(11)12)2-1-3-10-6(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2H,1,5H2,(H,6,7)(H,8,9)/t4-;2-/m00/s1
Key Properties
Melting Point
220-221 °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 | 307.31 g/mol | CAS Common Chemistry |
| 307.307 g/mol | RDKit | |
| 307.149183392 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CC(N)C(=O)O.O=C(O)C(N)CCCNC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N4O2.C4H7NO4/c7-4(5(11)12)2-1-3-10-6(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2H,1,5H2,(H,6,7)(H,8,9)/t4-;2-/m00/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SUUWYOYAXFUOLX-ZBRNBAAYSA-N | CAS Common Chemistry |
| Melting Point | 220-221 °C | CAS Common Chemistry |
| Name | Arginine aspartate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 225.83999999999997 Ų | RDKit |
| LogP | -2.465429999999996 | RDKit |
| Molar Refractivity | 72.62600000000002 | RDKit |
