β-Alanine, N-dodecyl- supplier

Name
3-dodecylaminopropionic acid
EINECS 215-968-1
CAS No. 1462-54-0
Density 0.92 g/cm³
Solubility
Melting Point
Formula C₁₅H₃₁NO₂
Boiling Point 379.1 °C at 760 mmHg
Molecular Weight 257.417
Flash Point 183.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-Carboxyethyl)dodecylamine;151L;3-(Dodecylamino)propionic acid;3-(Laurylamino)propionic acid;Delifat;Dodecyl(2-carboxyethyl)amine;Lauramino propionic acid;Mackam 151L;N-Dodecyl-b-alanine;N-Dodecyl-b-aminopropionic acid;N-Lauryl-b-alanine;N-Lauryl-b-aminopropionic acid;NSC 139974;Pionin C 158;Taipol LAP 10;
PSA 49.33000
LogP 4.36250

β-Alanine, N-dodecyl- Specification

The β-Alanine, N-dodecyl-, with the CAS registry number 1462-54-0, is also known as 3-(N-Dodecylamino)propionic acid. Its EINECS registry number is 215-968-1. This chemical's molecular formula is C₁₅H₃₁NO₂ and molecular weight is 257.41214. Its IUPAC name is called 3-(dodecylamino)propanoic acid.

Physical properties of β-Alanine, N-dodecyl-: (1)ACD/LogP: 5.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 17.17; (6)ACD/BCF (pH 7.4): 17.28; (7)ACD/KOC (pH 5.5): 51.77; (8)ACD/KOC (pH 7.4): 52.1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 14; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 76.7 cm³; (14)Molar Volume: 279.5 cm³; (15)Surface Tension: 34.7 dyne/cm; (16)Density: 0.92 g/cm³; (17)Flash Point: 183.1 °C; (18)Enthalpy of Vaporization: 68.85 kJ/mol; (19)Boiling Point: 379.1 °C at 760 mmHg; (20)Vapour Pressure: 8.54E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by oxetan-2-one and dodecylamine. This reaction will need reagent acetonitrile.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCNCCC(=O)O
(2)InChI: InChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18/h16H,2-14H2,1H3,(H,17,18)
(3)InChIKey: AEDQNOLIADXSBB-UHFFFAOYSA-N

Product Name

3-dodecylaminopropionic acid

β-Alanine, N-dodecyl- Specification

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