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Leucinamide Hydrochloride
CAS: 10466-61-2 | C6H15ClN2O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
10466-61-2
Molecular Formula:
C6H15ClN2O
Molecular Mass:
166.65 g/mol
Names and Synonyms:
Leucinamide Hydrochloride
Pentanamide, 2-amino-4-methyl-, hydrochloride (1:1), (2S)-
Leucinamide, monohydrochloride, L-
Pentanamide, 2-amino-4-methyl-, monohydrochloride, (S)-
Pentanamide, 2-amino-4-methyl-, monohydrochloride, (2S)-
L-Leucinamide monohydrochloride
L-Leucinamide hydrochloride
Leucinamide hydrochloride
Leucine amide hydrochloride
(S)-Leucinamide hydrochloride
NSC 83635
(S)-2-Amino-4-methylvaleramide monohydrochloride
(S)-2-Amino-4-methylpentanamide hydrochloride
Identifiers:
SMILES:
CC(C)C[C@H](N)C(=N)O.Cl
InChI:
InChI=1S/C6H14N2O.ClH/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t5-;/m0./s1
Key Properties
Melting Point
224-229 °C (decomp) @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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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 | 166.65 g/mol | CAS Common Chemistry |
| 166.65200000000002 g/mol | RDKit | |
| 166.08729078 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(N)C(N)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2O.ClH/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t5-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VSPSRRBIXFUMOU-JEDNCBNOSA-N | CAS Common Chemistry |
| Melting Point | 224-229 °C (decomp) @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Leucinamide hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.10000000000001 Ų | RDKit |
| LogP | 1.31687 | RDKit |
| Molar Refractivity | 45.0339 | RDKit |
