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Molecule
L-Homoarginine Hydrochloride
CAS: 1483-01-8 · C7H17ClN4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1483-01-8
- Molecular Formula
- C7H17ClN4O2
- Molecular Mass
- 224.69 g/mol
Identifiers
CAS Registry Number
1483-01-8
SMILES
Cl.N=C(N)NCCCC[C@H](N)C(=O)O
InChI Key
YMKBVNVCKUYUDM-JEDNCBNOSA-N
InChI
InChI=1S/C7H16N4O2.ClH/c8-5(6(12)13)3-1-2-4-11-7(9)10;/h5H,1-4,8H2,(H,12,13)(H4,9,10,11);1H/t5-;/m0./s1
Names and Synonyms
- L-Homoarginine Hydrochloride Synonym
- L-Lysine, N6-(aminoiminomethyl)-, hydrochloride (1:1) Synonym
- Lysine, N6-amidino-, monohydrochloride, L- Synonym
- L-Lysine, N6-(aminoiminomethyl)-, monohydrochloride Synonym
- L-Homoarginine hydrochloride Synonym
- NSC 145416 Synonym
- (S)-2-Amino-6-guanidinohexanoic acid hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.69 g/mol | CAS Common Chemistry |
| 224.692 g/mol | RDKit | |
| 224.689 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(O)C(N)CCCCNC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N4O2.ClH/c8-5(6(12)13)3-1-2-4-11-7(9)10;/h5H,1-4,8H2,(H,12,13)(H4,9,10,11);1H/t5-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YMKBVNVCKUYUDM-JEDNCBNOSA-N | CAS Common Chemistry |
| Name | L-Homoarginine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 125.22000000000001 Ų | RDKit |
| 125.22 Ų | RDKit | |
| 113.37 Ų | chempirical lib | |
| LogP | -0.5265299999999999 | RDKit |
| -0.5265 | RDKit | |
| Molar Refractivity | 56.62700000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 224.104003464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 224.69 g/mol. Edit any field — others recompute live.
