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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
Names and Synonyms:
L-Homoarginine Hydrochloride
L-Lysine, N6-(aminoiminomethyl)-, hydrochloride (1:1)
Lysine, N6-amidino-, monohydrochloride, L-
L-Lysine, N6-(aminoiminomethyl)-, monohydrochloride
L-Homoarginine hydrochloride
NSC 145416
(S)-2-Amino-6-guanidinohexanoic acid hydrochloride
Identifiers:
SMILES:
Cl.N=C(N)NCCCC[C@H](N)C(=O)O
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
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 | 224.69 g/mol | CAS Common Chemistry |
| 224.692 g/mol | RDKit | |
| 224.104003464 g/mol | RDKit | |
| 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 |
| LogP | -0.5265299999999999 | RDKit |
| Molar Refractivity | 56.62700000000001 | RDKit |
