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Molecule
Arginine Aspartate
CAS: 7675-83-4 · C10H21N5O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7675-83-4
- Molecular Formula
- C10H21N5O6
- Molecular Mass
- 307.31 g/mol
Identifiers
CAS Registry Number
7675-83-4
SMILES
N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
InChI Key
SUUWYOYAXFUOLX-ZBRNBAAYSA-N
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
Names and Synonyms
- Arginine Aspartate Synonym
- L-Aspartic acid, compd. with L-arginine (1:1) Synonym
- Aspartic acid, L-, compd. with L-arginine (1:1) Synonym
- Arginine, L-, L-aspartate (1:1) Synonym
- L-Arginine, L-aspartate (1:1) Synonym
- Arginine aspartate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.31 g/mol | CAS Common Chemistry |
| 307.307 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 |
| 225.84 Ų | RDKit | |
| 213.99 Ų | chempirical lib | |
| LogP | -2.465429999999996 | RDKit |
| -2.4654 | RDKit | |
| Molar Refractivity | 72.62600000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 307.149183392 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
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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.
External Resources
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MW = 307.31 g/mol. Edit any field — others recompute live.
