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CAS No.: | 56375-79-2 |
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Name: | 1-Butanaminium,N,N-dibutyl-N-methyl-, chloride (1:1) |
Molecular Structure: | |
Formula: | C13H30ClN |
Molecular Weight: | 235.84 |
Synonyms: | 1-Butanaminium,N,N-dibutyl-N-methyl-, chloride (9CI);Aliquat 175;Methyltributylammoniumchloride;Tributylmethylammonium chloride;N,N-Dibutyl-N-methyl-1-butanaminium chloride; |
EINECS: | 260-135-8 |
Density: | 0.964 g/cm3 |
Melting Point: | 95-99 °C |
Boiling Point: | 152ºC |
Flash Point: | 84-85°C/101mm |
Solubility: | soluble in water |
Appearance: | slightly pale yellow crystalline powder |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 36/37/38-22-36 |
Safety: | 26-37/39-36/37/39 |
PSA: | 0.00000 |
LogP: | 0.83730 |
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The IUPAC name of 1-Butanaminium,N,N-dibutyl-N-methyl-, chloride (1:1) is tributyl(methyl)azanium chloride. With the CAS registry number 56375-79-2, it is also named as Methyl tributyl ammonium chloride. The product is slightly pale yellow crystalline powder, which should be stored in closed, cool and dry place. In addition, its molecular formula is C13H30ClN and molecular weight is 235.84.
The other characteristics of 1-Butanaminium,N,N-dibutyl-N-methyl-, chloride (1:1) can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 9; (4)Exact Mass: 235.206678; (5)MonoIsotopic Mass: 235.206678; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 15; (8)Complexity: 98.6; (9)Density: 0.964 g/cm3; (10)Melting point: 95-99 °C; (11)Boiling Point: 84-85 °C / 101mm; (12)Flash Point: 84-85 °C / 101mm; (13)EINECS: 260-135-8.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: [Cl-].C(CC[N+](CCCC)(CCCC)C)C
(2)InChI: InChI=1/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: IPILPUZVTYHGIL-REWHXWOFAN
(4)Std. InChI: InChI=1S/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
(5)Std. InChIKey: IPILPUZVTYHGIL-UHFFFAOYSA-M