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| CAS No.: | 55819-53-9 |
|---|---|
| Name: | dimethyl[(3-stearoylamino)propyl]ammonium lactate |
| Molecular Structure: | |
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| Formula: | C26H54N2O4 |
| Molecular Weight: | 458.71796 |
| Synonyms: | dimethyl[(3-stearoylamino)propyl]ammonium lactate;Propanoic acid, 2-hydroxy-, compd. with N-3-(dimethylamino)propyloctadecanamide (1:1);N,N-Dimethylstearamidopropylamine lactate;2-Hydroxypropionic acid·N-[3-(dimethylamino)propyl]octadecanamide |
| EINECS: | 259-837-7 |
| Boiling Point: | 496.9 °C at 760 mmHg |
| Flash Point: | 254.3 °C |
| PSA: | 93.36000 |
| LogP: | 6.60790 |
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Specification
The Stearamidopropyl dimethylamine lactate, with the CAS registry number 55819-53-9 and EINECS registry number 259-837-7, has the IUPAC name of N-[3-(dimethylamino)propyl]octadecanamide; 2-hydroxypropanoic acid. And the molecular formula of the chemical is C26H54N2O4.
The characteristics of Stearamidopropyl dimethylamine lactate are as followings: (1)H-Bond Donor 3; (2)H-Bond Acceptor 5; (3)Rotatable Bond Count 21; (4)Tautomer Count 2 ; (5)Exact Mass 458.408358; (6)MonoIsotopic Mass 458.408358; (7)Topological Polar Surface Area 89.9; (8)Heavy Atom Count 32; (9)Formal Charge 0; (10)Complexity 351; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 1; (14)Defined Bond StereoCenter Count 0; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CC(C(=O)O)O
(2)InChI: InChI=1S/C23H48N2O.C3H6O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-2(4)3(5)6/h4-22H2,1-3H3,(H,24,26);2,4H,1H3,(H,5,6)
(3)InChIKey: NTLIJZACUWTZFB-UHFFFAOYSA-N