1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-(carboxymethylamino)ethylamino]ethyl-dodecylazanium;chloride

2.1.2 InChI

InChI=1S/C18H39N3O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16-21-17-18(22)23;/h19-21H,2-17H2,1H3,(H,22,23);1H

2.1.3 InChI Key

GJEULMGGGBFACC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCC[NH2+]CCNCCNCC(=O)O.[Cl-]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Ampholan

2. Ampholyt G

3. Ddeg

4. Desimex I

5. Dodecyldi(aminoethyl)glycine

6. Dodecyldiaminoethylglycine

7. Dodicin

8. Dodicin Monohydrochloride

9. Dodicin Monosodium Salt

10. Tego 51

2.2.2 Depositor-Supplied Synonyms

1. 36895-38-2

2. 2-[2-(carboxymethylamino)ethylamino]ethyl-dodecylazanium;chloride

3. Lebon 15 Hydrochloride

4. Tego 51

5. Glycine, N-(2-((2-(dodecylamino)ethyl)amino)ethyl)-, Hydrochloride

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₄₀ClN₃O₂
Molecular Weight	366.0 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	19
Exact Mass	365.2809052 g/mol
Monoisotopic Mass	365.2809052 g/mol
Topological Polar Surface Area	78 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	250
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	2

Dodicin Hydrochloride