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Molecule
Ornithine Hydrochloride
CAS: 3184-13-2 · C5H13ClN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3184-13-2
- Molecular Formula
- C5H13ClN2O2
- Molecular Mass
- 168.62 g/mol
Identifiers
CAS Registry Number
3184-13-2
SMILES
Cl.NCCC[C@H](N)C(=O)O
InChI Key
GGTYBZJRPHEQDG-WCCKRBBISA-N
InChI
InChI=1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m0./s1
Names and Synonyms
- Ornithine Hydrochloride Common Name
- L-Ornithine, hydrochloride (1:1) Synonym
- Ornithine, monohydrochloride, L- Synonym
- L-Ornithine, monohydrochloride Synonym
- L-Ornithine hydrochloride Synonym
- Ornithine hydrochloride Synonym
- Ornithine monohydrochloride Synonym
- L-(+)-Ornithine monohydrochloride Synonym
- (S)-2,5-Diaminopentanoic acid hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.62 g/mol | CAS Common Chemistry |
| 168.62400000000002 g/mol | RDKit | |
| 168.624 g/mol | RDKit | |
| 168.621 g/mol | chempirical lib | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.413 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl.O=C(O)C(N)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GGTYBZJRPHEQDG-WCCKRBBISA-N | CAS Common Chemistry |
| Melting Point | 225 °C | CAS Common Chemistry |
| Name | Ornithine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 89.34 Ų | RDKit |
| LogP | -0.4410000000000001 | RDKit |
| -0.441 | RDKit | |
| Molar Refractivity | 41.14760000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 168.066555336 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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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Quick conversion
MW = 168.62 g/mol; density = 1.410 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13ClN2O2.
