N-Lauroyl-l-alanine

Catalog	DGS52558744
CAS	52558-74-4
Structure
Synonyms	Lauroyl alanine; Lauroylalanine
IUPAC Name	(2S)-2-(dodecanoylamino)propanoic acid
Molecular Weight	271.40
Molecular Formula	C15H29NO3
InChI	InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16-13(2)15(18)19/h13H,3-12H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChI Key	UYTOHYBIBPDOKX-ZDUSSCGKSA-N
Boiling Point	452.1±28.0 °C (Predicted)
Melting Point	104-105 °C
Purity	≥99%
Density	0.979 g/cm³
Appearance	White powder
Complexity	254
Exact Mass	271.21474379
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O
MDL Number	MFCD00216726
Monoisotopic Mass	271.21474379
pKa	3.69±0.10 (Predicted)
Rotatable Bond Count	12
Storage Conditions	2-8°C
Topological Polar Surface Area	66.4 Ų
XLogP3-AA	4.7