N-Lauroylsarcosine

Catalog	DGS97789
CAS	97-78-9
Structure
Synonyms	N-Dodecanoylsarcosine
IUPAC Name	2-[dodecanoyl(methyl)amino]acetic acid
Molecular Weight	271.40
Molecular Formula	C15H29NO3
Canonical SMILES	CCCCCCCCCCCC(=O)N(C)CC(=O)O
InChI	InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19)
InChI Key	BACYUWVYYTXETD-UHFFFAOYSA-N
Boiling Point	413.2±28.0 °C (Predicted)
Melting Point	45-50 °C
Flash Point	203.7°C
Purity	90%+
Density	0.98 g/cm³
Solubility	Soluble in methanol, insoluble in water.
Appearance	Solid
Complexity	254
EC Number	202-608-3
Exact Mass	271.21474379
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCC(=O)N(C)CC(=O)O
MDL Number	MFCD00021749
Monoisotopic Mass	271.21474379
pKa	3.62±0.10 (Predicted)
Rotatable Bond Count	12
Storage Conditions	Room temperature
Topological Polar Surface Area	57.6 Ų
XLogP3-AA	4.5