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Molecule
Dromos
CAS: 119793-66-7 · C10H20ClNO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 119793-66-7
- Molecular Formula
- C10H20ClNO4
- Molecular Mass
- 253.73 g/mol
Identifiers
CAS Registry Number
119793-66-7
SMILES
CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.Cl
InChI Key
KTFMPDDJYRFWQE-DDWIOCJRSA-N
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
Names and Synonyms
- Dromos Synonym
- 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, chloride (1:1), (2R)- Synonym
- 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, chloride, (R)- Synonym
- 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, chloride, (2R)- Synonym
- ST 261 Synonym
- Dromos Synonym
- Levocarnitine propionate hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 253.73 g/mol | CAS Common Chemistry |
| 253.72599999999997 g/mol | RDKit | |
| 253.726 g/mol | RDKit | |
| 253.723 g/mol | chempirical lib | |
| 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 |
| 64.6 Ų | chempirical lib | |
| LogP | -0.42379999999999923 | RDKit |
| -0.4238 | RDKit | |
| Molar Refractivity | 59.94240000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 253.1080858 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
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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.
External Resources
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MW = 253.73 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H20ClNO4.
