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93941-92-5

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Basic Information
CAS No.: 93941-92-5
Name: benzyldimethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride
Molecular Structure:
Molecular Structure of 93941-92-5 (benzyldimethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride)
Formula: C15H22ClNO2
Molecular Weight: 283.79
Synonyms: Benzenemethanaminium,N,N-dimethyl-N-[2-[(1-oxo-2-propenyl)oxy]propyl]-, chloride (9CI);Benzenemethanaminium,N,N-dimethyl-N-[2-[(1-oxo-2-propen-1-yl)oxy]propyl]-, chloride (1:1);
EINECS: 300-541-5
PSA: 26.30000
LogP: -0.61530
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Specification

The Benzyldimethyl(2-((1-oxoallyl)oxy)propyl)ammonium chloride, with the CAS registry number 93941-92-5, is also known as Benzenemethanaminium,N,N-dimethyl-N-[2-[(1-oxo-2-propen-1-yl)oxy]propyl]-, chloride (1:1). Its EINECS number is 300-541-5. This chemical's molecular formula is C15H22ClNO2 and molecular weight is 283.79. What's more, its systematic name is 2-(Acryloyloxy)-N-benzyl-N,N-dimethyl-1-propanaminium chloride.

Physical properties of Benzyldimethyl(2-((1-oxoallyl)oxy)propyl)ammonium chloride are: (1)ACD/LogP: -2.568; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -2.57; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(OC(C)C[N+](C)(Cc1ccccc1)C)\C=C
(2)Std. InChI: InChI=1S/C15H22NO2.ClH/c1-5-15(17)18-13(2)11-16(3,4)12-14-9-7-6-8-10-14;/h5-10,13H,1,11-12H2,2-4H3;1H/q+1;/p-1
(3)Std. InChIKey: PAASWQUUUXLYAI-UHFFFAOYSA-M