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| CAS No.: | 14251-72-0 |
|---|---|
| Name: | BUTYLTRIMETHYLAMMONIUM CHLORIDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H18ClN |
| Molecular Weight: | 151.68 |
| Synonyms: | 1-Butanaminium,N,N,N-trimethyl-, chloride (9CI);Ammonium, butyltrimethyl-, chloride (8CI);Butyltrimethylammonium chloride (6CI);N-Butyl-N,N,N-trimethylammonium chloride; |
| Melting Point: | 225-230℃ (Decomposition) |
| Boiling Point: | 122.4°C at 760 mmHg |
| Flash Point: | 16.9°C |
| PSA: | 0.00000 |
| LogP: | -1.50330 |
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Specification
The 1-Butanaminium,N,N,N-trimethyl-, chloride (1:1), with the CAS registry number 14251-72-0, is also known as N,N,N-Trimethylbutan-1-aminium chloride. This chemical's molecular formula is C7H18ClN and molecular weight is 151.68. What's more, its IUPAC name is called Butyl(trimethyl)azanium chloride.
Physical properties about 1-Butanaminium,N,N,N-trimethyl-, chloride (1:1) are: (1)ACD/LogP: -2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.6; (4)ACD/LogD (pH 7.4): -2.6; (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.
You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].CCCC[N+](C)(C)C
(2) InChI: InChI=1/C7H18N.ClH/c1-5-6-7-8(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
(3) InChIKey: WJVGUJSDVKTDIX-REWHXWOFAB