Ldao

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Catalog Number
ACM1643205
Product Name
Ldao
Structure
Structure
CAS
1643-20-5
Category
Main Products
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
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
EC Number
216-700-6
Exact Mass
229.240564612
Formal Charge
0
Hazard Statements
H315-H319-H335
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
Packing Group
III
pH
5-9 (1% solution in water)
pKa
4.79±0.40 (Predicted)
RIDADR
NONH for all modes of transport
Rotatable Bond Count
11
Safety Description
26-36/37/39-45-27
Shipping
Room temperature
Stability
≥2 years
Storage Conditions
-20 °C
Symbol
GHS07
Topological Polar Surface Area
18.1 Ų
UN Number
3249
XLogP3-AA
5.3
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