Ldao

Catalog	DGS1643205
CAS	1643-20-5
Structure
Synonyms	N,N-dimethyl-1-dodecanamine, N-oxide; Dimethyldodecylamine N-oxide; Lauramine oxide; Lauryldimethylamine oxide; N-Lauryldimethylamine N-oxide
IUPAC Name	N,N-dimethyldodecan-1-amine oxide
Molecular Weight	229.4
Molecular Formula	C14H31NO
Canonical SMILES	CCCCCCCCCCCC[N+](C)(C)[O-]
InChI	InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
InChI Key	SYELZBGXAIXKHU-UHFFFAOYSA-N
Boiling Point	100ºC
Melting Point	132-133 °C (lit.)
Flash Point	94ºC
Purity	≥95%
Density	0.996 g/mL at 20 °C
Solubility	DMF: 0.3 mg/mL; DMSO: 0.1 mg/mL; Ethanol: 15 mg/mL; PBS (pH 7.2): 0.1 mg/mL
Appearance	A crystalline solid
Complexity	146
Critical Micelle Concentration	(H₂O) ~ 1-2 mM (0.023%)
EC Number	216-700-6
Exact Mass	229.240564612
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCC[N+](C)(C)[O-]
Monoisotopic Mass	229.240564612
pH	5-9 (1% solution in water)
pKa	4.79±0.40 (Predicted)
Rotatable Bond Count	11
Shipping	Room temperature
Stability	≥2 years
Storage Conditions	-20 °C
Topological Polar Surface Area	18.1 Ų
XLogP3-AA	5.3