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| Name |
1-Propanaminium,N,N,N-trimethyl-2-oxo-, chloride (1:1) |
EINECS | N/A |
| CAS No. | 54541-46-7 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H14ClNO | Boiling Point | N/A |
| Molecular Weight | 116.1809 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Propanaminium,N,N,N-trimethyl-2-oxo-, chloride (9CI);Acetonyltrimethylammonium chloride(7CI); |
1-Propanaminium,N,N,N-trimethyl-2-oxo-, chloride (1:1) Specification
The 1-Propanaminium,N,N,N-trimethyl-2-oxo-, chloride (1:1), with the CAS registry number 54541-46-7, is also known as NSC83556. This chemical's molecular formula is C6H14ClNO and molecular weight is 116.1809. Its IUPAC name is called trimethyl(2-oxopropyl)azanium chloride.
Physical properties of 1-Propanaminium,N,N,N-trimethyl-2-oxo-, chloride (1:1): (1)ACD/LogP: -3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.13; (4)ACD/LogD (pH 7.4): -3.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C[N+](C)(C)C.[Cl-]
(2)InChI: InChI=1S/C6H14NO.ClH/c1-6(8)5-7(2,3)4;/h5H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: DOTQEKRZRYAIDV-UHFFFAOYSA-M
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