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CAS No.: | 7470-46-4 |
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Name: | 1,4-bis(2-chloroethyl)-1,4-dimethylpiperazinediium |
Molecular Structure: | |
Formula: | C10H22Cl2N2 |
Molecular Weight: | 241.2 |
Synonyms: | Piperazinium,1,4-bis(2-chloroethyl)-1,4-dimethyl-, diiodide (9CI); |
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The Piperazinium,1,4-bis(2-chloroethyl)-1,4-dimethyl-, hydriodide (1:2), with the CAS registry number 7470-46-4, is also known as N,N'-Dimethyl-N,N'-bis(2-chloroethyl)piperazinium. This chemical's molecular formula is C10H22Cl2N2 and molecular weight is 241.2. Its systematic name is called 1,4-bis(2-chloroethyl)-1,4-dimethylpiperazinediium.
Physical properties of Piperazinium,1,4-bis(2-chloroethyl)-1,4-dimethyl-, hydriodide (1:2): (1)ACD/LogP: -1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -1.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.35; (8)ACD/KOC (pH 7.4): 2.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC[N+]1(CC[N+](CCCl)(C)CC1)C
(2)InChI: InChI=1/C10H22Cl2N2/c1-13(5-3-11)7-9-14(2,6-4-12)10-8-13/h3-10H2,1-2H3/q+2
(3)InChIKey: BCVQWHWILUCUOU-UHFFFAOYAT