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Basic information

  • Name:
  • 1-Propanaminium,N,N,N-tripropyl-, chloride (1:1)

  • Superlist Name:
  • Tetrapropyl ammonium chloride
  • CAS No.:
  • 5810-42-4

  • Molecular Structure:
  • Formula:
  • C12H28ClN
  • Molecular Weight:
  • 221.81
  • Synonyms:
  • Tetra-n-propylammonium chloride;1-Propanaminium,N,N,N-tripropyl-, chloride (9CI);Ammonium, tetrapropyl-, chloride (8CI);Tetrapropylammonium chloride (6CI,7CI);N,N,N-Tripropyl-1-propanaminiumchloride;1-Propanaminium, N,N,N-tripropyl-, chloride;1-propanaminium, N,N,N-tripropyl-, chloride (1:1);n,n,n-tripropylpropan-1-aminium chloride;
  • EINECS:
  • 227-375-5
  • Melting Point:
  • 240-242 °C(lit.)
  • Appearance:
  • solid
  • Hazard Symbols:
  • IrritantXi
  • Risk Codes:
  • 36/37/38
  • Safety Description:
  • 26-36-37/39 Details

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Specification

The Tetrapropyl ammonium chloride, with the CAS registry number 5810-42-4 and EINECS registry number 227-375-5, has the systematic name of N,N,N-tripropylpropan-1-aminium chloride. And the molecular formula of this chemical is C12H28ClN. It is a kind of hygroscopic solid, and belongs to the following product categories: Quarternary ammonium salts; Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts. 

The physical properties of Tetrapropyl ammonium chloride are as following: (1)ACD/LogP: -2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.64; (4)ACD/LogD (pH 7.4): -2.64; (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: 8; (12)Polar Surface Area: 0 Å2.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting 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-].C(C[N+](CCC)(CCC)CCC)C
(2)InChI: InChI=1/C12H28N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: FBEVECUEMUUFKM-REWHXWOFAR

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