CAS No.147228-81-7,BENZYLDIMETHYLTETRADECYLAMMONIUM CHLORI& Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	147228-81-7
Name:	BENZYLDIMETHYLTETRADECYLAMMONIUM CHLORI&

Formula:	C₂₃H₄₆ClNO₂
Molecular Weight:	404.077
Synonyms:	Benzenemethanaminium,N,N-dimethyl-N-tetradecyl-, chloride, dihydrate (9CI);
EINECS:	205-352-0
Melting Point:	63-65 °C(lit.)
Hazard Symbols:	C,N
Risk Codes:	21/22-34-50
Safety:	36/37/39-45-61
Transport Information:	UN 3261
PSA:	18.46000
LogP:	3.83950

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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