Basic information
- Name:
Ethanaminium,N,N-diethyl-N-methyl-, chloride (1:1)
- Superlist Name:
- Triethylmethylammonium chloride
- CAS No.:
10052-47-8
- Molecular Structure:
- Formula:
- C7H18ClN
- Molecular Weight:
- 151.68
- Synonyms:
- Ammonium,triethylmethyl-, chloride (8CI);Ethanaminium, N,N-diethyl-N-methyl-, chloride(9CI);Triethylmethylammonium chloride (6CI,7CI);Methyltriethylammoniumchloride;
- Melting Point:
- 282-284 °C(lit.)
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Specification
The Ethanaminium,N,N-diethyl-N-methyl-, chloride (1:1), with CAS registry number 10052-47-8, belongs to the following product categories: (1)Ammonium Chlorides (Quaternary); (2)Quaternary Ammonium Compounds. It has the systematic name of N,N-diethyl-N-methylethanaminium chloride. And the chemical formula of this chemical is C7H18ClN.
Physical properties of Ethanaminium,N,N-diethyl-N-methyl-, chloride (1:1): (1)ACD/LogP: -3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.1; (4)ACD/LogD (pH 7.4): -3.1; (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: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2.
When you are using this chemical, please be cautious about it as the following:
The Ethanaminium,N,N-diethyl-N-methyl-, chloride (1:1) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].CC[N+](CC)(CC)C
(2)InChI: InChI=1/C7H18N.ClH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: NIUZJTWSUGSWJI-REWHXWOFAU
(4)Std. InChI: InChI=1S/C7H18N.ClH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1
(5)Std. InChIKey: NIUZJTWSUGSWJI-UHFFFAOYSA-M