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Molecule
L-Lysine, N6-Methyl-, Hydrochloride (1:1)
CAS: 7622-29-9 · C7H17ClN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7622-29-9
- Molecular Formula
- C7H17ClN2O2
- Molecular Mass
- 196.68 g/mol
Identifiers
CAS Registry Number
7622-29-9
SMILES
CNCCCC[C@H](N)C(=O)O.Cl
InChI Key
AQELUQTVJOFFBN-RGMNGODLSA-N
InChI
InChI=1S/C7H16N2O2.ClH/c1-9-5-3-2-4-6(8)7(10)11;/h6,9H,2-5,8H2,1H3,(H,10,11);1H/t6-;/m0./s1
Names and Synonyms
- L-Lysine, N6-Methyl-, Hydrochloride (1:1) Systematic Name
- L-Lysine, N6-methyl-, hydrochloride (1:1) Synonym
- Lysine, N6-methyl-, monohydrochloride, L- Synonym
- L-Lysine, N6-methyl-, monohydrochloride Synonym
- Lysine, N6-methyl-, hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.68 g/mol | CAS Common Chemistry |
| 196.67800000000003 g/mol | RDKit | |
| 196.678 g/mol | RDKit | |
| 196.675 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(O)C(N)CCCCNC | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2O2.ClH/c1-9-5-3-2-4-6(8)7(10)11;/h6,9H,2-5,8H2,1H3,(H,10,11);1H/t6-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AQELUQTVJOFFBN-RGMNGODLSA-N | CAS Common Chemistry |
| Name | L-Lysine, N6-methyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 75.35 Ų | RDKit |
| LogP | 0.20979999999999988 | RDKit |
| 0.2098 | RDKit | |
| Molar Refractivity | 50.636900000000026 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 196.097855464 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 = 196.68 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H17ClN2O2.
