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Methyl tributyl ammonium chloride

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Name

Methyl tributyl ammonium chloride

EINECS 260-135-8
CAS No. 56375-79-2 Density 0.964 g/cm3
PSA 0.00000 LogP 0.83730
Solubility soluble in water Melting Point 95-99 °C
Formula C13H30ClN Boiling Point 152ºC
Molecular Weight 235.84 Flash Point 84-85°C/101mm
Transport Information N/A Appearance slightly pale yellow crystalline powder
Safety 26-37/39-36/37/39 Risk Codes 36/37/38-22-36
Molecular Structure Molecular Structure of 56375-79-2 (1-Butanaminium,N,N-dibutyl-N-methyl-, chloride (1:1)) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

1-Butanaminium,N,N-dibutyl-N-methyl-, chloride (9CI);Aliquat 175;Methyltributylammoniumchloride;Tributylmethylammonium chloride;N,N-Dibutyl-N-methyl-1-butanaminium chloride;

 

Methyl tributyl ammonium chloride Specification

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

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