1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4,5-dihydroimidazol-1-yl)ethanamine;2-dodecylbenzenesulfonic acid

2.1.2 InChI

InChI=1S/2C18H30O3S.C5H11N3/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;6-1-3-8-4-2-7-5-8/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);5H,1-4,6H2

2.1.3 InChI Key

IMPXEMVUBZSERR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.C1CN(C=N1)CCN

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 68130-96-1

2. (tall Oil)imidazolinium Dodecylbenzenesulfonate

3. Einecs 268-607-5

4. 2-imidazoline, 1-(2-aminoethyl)-2-(tall Oil Alkyl), Di(dodecylbenzenesulfonic Acid) Salt

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₄₁H₇₁N₃O₆S₂
Molecular Weight	766.2 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	26
Exact Mass	765.47842934 g/mol
Monoisotopic Mass	765.47842934 g/mol
Topological Polar Surface Area	167 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	449
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

AC1L4208

AC1L4208

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