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Dromos
CAS: 119793-66-7 | C10H20ClNO4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
119793-66-7
Molecular Formula:
C10H20ClNO4
Molecular Mass:
253.73 g/mol
Names and Synonyms:
Dromos
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, chloride (1:1), (2R)-
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, chloride, (R)-
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, chloride, (2R)-
ST 261
Dromos
Levocarnitine propionate hydrochloride
Identifiers:
SMILES:
CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.Cl
InChI:
InChI=1S/C10H19NO4.ClH/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;/h8H,5-7H2,1-4H3;1H/t8-;/m1./s1
Key Properties
Melting Point
161.0-163.0 °C @ Solvent: Ethanol, Diethyl ether
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
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 | 253.73 g/mol | CAS Common Chemistry |
| 253.72599999999997 g/mol | RDKit | |
| 253.1080858 g/mol | RDKit | |
| Canonical SMILES | [Cl-].O=C(O)CC(OC(=O)CC)C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H19NO4.ClH/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;/h8H,5-7H2,1-4H3;1H/t8-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KTFMPDDJYRFWQE-DDWIOCJRSA-N | CAS Common Chemistry |
| Melting Point | 161.0-163.0 °C @ Solvent: Ethanol, Diethyl ether | CAS Common Chemistry |
| Name | Dromos | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.43 Ų | RDKit |
| LogP | -0.42379999999999923 | RDKit |
| Molar Refractivity | 59.94240000000005 | RDKit |
