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Molecule
D-Arginine, Hydrochloride (1:1)
CAS: 627-75-8 · C6H15ClN4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 627-75-8
- Molecular Formula
- C6H15ClN4O2
- Molecular Mass
- 210.67 g/mol
Identifiers
CAS Registry Number
627-75-8
SMILES
Cl.N=C(N)NCCC[C@@H](N)C(=O)O
InChI Key
KWTQSFXGGICVPE-PGMHMLKASA-N
InChI
InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m1./s1
Names and Synonyms
- D-Arginine, Hydrochloride (1:1) Synonym
- D-Arginine, hydrochloride (1:1) Synonym
- NSC 46710 Synonym
- Arginine, monohydrochloride, D- Synonym
- D-Arginine, monohydrochloride Synonym
- D-Arginine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.67 g/mol | CAS Common Chemistry |
| 210.66500000000002 g/mol | RDKit | |
| 210.665 g/mol | RDKit | |
| 210.662 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(O)C(N)CCCNC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KWTQSFXGGICVPE-PGMHMLKASA-N | CAS Common Chemistry |
| Name | D-Arginine, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 125.22000000000001 Ų | RDKit |
| 125.22 Ų | RDKit | |
| 113.37 Ų | chempirical lib | |
| LogP | -0.9166299999999994 | RDKit |
| -0.9166 | RDKit | |
| Molar Refractivity | 52.010000000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 210.0883534 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 210.67 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15ClN4O2.
