Basic information
- Name:
Pyrrolidinium,1-ethyl-1-methyl-, bromide (1:1)
- Superlist Name:
- 1-Ethyl-1-methylpyrrolidinium bromide
- CAS No.:
69227-51-6
- Molecular Structure:
- Formula:
- C7H16N.Br
- Molecular Weight:
- 194.11
- Synonyms:
- Pyrrolidinium,1-ethyl-1-methyl-, bromide (9CI);N-Ethyl-N-methylpyrrolidinium bromide;
- EINECS:
- 418-200-5
- Hazard Symbols:
Xn- Risk Codes:
- 68
- Safety Description:
- 36/37 Details
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Specification
The 1-Ethyl-1-methylpyrrolidinium bromide with cas registry number of 69227-51-6 is also called 1-Methyl-1-ethylpyrrolidinium bromide. Its IUPAC name is called 1-ethyl-1-methylpyrrolidin-1-ium bromide. And its systematic name is called 1-ethyl-1-methylpyrrolidinium bromide, too. This chemical has an EINECS registry number of 418-200-5.
The physical properties about this chemical are: (1)ACD/LogP: -2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.11; (4)ACD/LogD (pH 7.4): -2.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.7; (8)ACD/KOC (pH 7.4): 1.7; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1.
When you are using this chemical, please be cautious about it as the following:
This chemical has the possible risk of irreversible effects. Therefore, it is better to wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].C[N+]1(CC)CCCC1;
(2)InChI: InChI=1/C7H16N.BrH/c1-3-8(2)6-4-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1;
(3)InChIKey: KHJQQUGSPDBDRM-REWHXWOFAA
