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Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride, hydrate

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Name

Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride, hydrate

EINECS 205-352-0
CAS No. 147228-81-7 Density N/A
PSA 18.46000 LogP 3.83950
Solubility N/A Melting Point 63-65 °C(lit.)
Formula C23H46ClNO2 Boiling Point N/A
Molecular Weight 404.077 Flash Point N/A
Transport Information UN 3261 Appearance N/A
Safety 36/37/39-45-61 Risk Codes 21/22-34-50
Molecular Structure Molecular Structure of 147228-81-7 (BENZYLDIMETHYLTETRADECYLAMMONIUM CHLORI&) Hazard Symbols CorrosiveC,DangerousN
Synonyms

Benzenemethanaminium,N,N-dimethyl-N-tetradecyl-, chloride, dihydrate (9CI);

 

Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride, hydrate Specification

This chemical is called Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride, dihydrate, and its CAS registry number is 147228-81-7. With the molecular formula of C23H46ClNO2, its product categories are Ammonium Salts; Catalysis; Phase Transfer Catalysts.  In addition, this chemical should be sealed, away from oxides.

Other characteristics of the Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride, dihydrate can be summarised as followings: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.45; (6)ACD/BCF (pH 7.4): 51.45; (7)ACD/KOC (pH 5.5): 584.26; (8)ACD/KOC (pH 7.4): 584.26; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful in contacting with skin and if swallowed. Wear suitable protective clothing, gloves and eye/face protection. It's very toxic to aquatic organisms. Avoid releasing it to the environment. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure: 
1.SMILES: [Cl-].O.O.c1ccccc1C[N+](C)(CCCCCCCCCCCCCC)C
2.InChI: InChI=1/C23H42N.ClH.2H2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;;;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H;2*1H2/q+1;;;/p-1
3.InChIKey: YLPZVNXGKBIJBW-REWHXWOFAO

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