Acetic acid, chloro-, reaction products with 2-heptyl-4,5-dihydro-1H-imidazole-1-ethanol and sodium hydroxide supplier

Name
Acetic acid, chloro-, reaction products with 2-heptyl-4,5-dihydro-1H-imidazole-1-ethanol and sodium hydroxide
EINECS 271-792-5
CAS No. 68608-64-0
Density
Solubility
Melting Point
Formula C₁₄H₂₈ClN₂NaO₄
Boiling Point 356.1 °C at 760 mmHg
Molecular Weight 346.83
Flash Point 169.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms sodium; 2-chloroacetic acid; 2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethanol; hydroxide;Caprylic acid, aminoethylethanolamine amide-imidazoline, dicarboxymethylated, disodium salt;
PSA 85.19000
LogP 0.33760

Acetic acid, chloro-, reaction products with 2-heptyl-4,5-dihydro-1H-imidazole-1-ethanol and sodium hydroxide Specification

This chemical is called Acetic acid, chloro-, reaction products with 2-heptyl-4,5-dihydro-1H-imidazole-1-ethanol and sodium hydroxide, and its systematic name is Sodium; 2-chloroacetic acid; 2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethanol; hydroxide. With the molecular formula of C₁₄H₂₈ClN₂NaO₄, its molecular weight is 346.83. The CAS registry number of the chemical is 68608-64-0.

Other characteristics of Acetic acid, chloro-, reaction products with 2-heptyl-4,5-dihydro-1H-imidazole-1-ethanol and sodium hydroxide can be summarised as followings: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 1.67; (6)ACD/BCF (pH 7.4): 1.8; (7)ACD/KOC (pH 5.5): 13.59; (8)ACD/KOC (pH 7.4): 14.62; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 24.83 Å²; (13)Flash Point: 169.2 °C; (14)Enthalpy of Vaporization: 69.62 kJ/mol; (15)Boiling Point: 356.1 °C at 760 mmHg; (16)Vapour Pressure: 1.69E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[OH-].ClCC(=O)O.OCCN1\C(=N/CC1)CCCCCCC
2.InChI: InChI=1/C12H24N2O.C2H3ClO2.Na.H2O/c1-2-3-4-5-6-7-12-13-8-9-14(12)10-11-15;3-1-2(4)5;;/h15H,2-11H2,1H3;1H2,(H,4,5);;1H2/q;;+1;/p-1
3.InChIKey: QVYIAHOSBDIXIQ-REWHXWOFAM
4.Std. InChI: InChI=1S/C12H24N2O.C2H3ClO2.Na.H2O/c1-2-3-4-5-6-7-12-13-8-9-14(12)10-11-15;3-1-2(4)5;;/h15H,2-11H2,1H3;1H2,(H,4,5);;1H2/q;;+1;/p-1
5.Std. InChIKey: QVYIAHOSBDIXIQ-UHFFFAOYSA-M

Product Name

Acetic acid, chloro-, reaction products with 2-heptyl-4,5-dihydro-1H-imidazole-1-ethanol and sodium hydroxide

Acetic acid, chloro-, reaction products with 2-heptyl-4,5-dihydro-1H-imidazole-1-ethanol and sodium hydroxide Specification

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