Dexpanthenol

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Catalog Number
ACM81130
Product Name
Dexpanthenol
Structure
Structure
CAS
81-13-0
Category
Heterocyclic Organic Compound
Synonyms
Bepanthen
IUPAC Name
(2R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
Molecular Weight
205.25
Molecular Formula
C9H19NO4
Canonical SMILES
CC(C)(CO)C(C(=O)NCCCO)O
InChI
InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1
InChI Key
SNPLKNRPJHDVJA-ZETCQYMHSA-N
Boiling Point
118-120 °C
Melting Point
64-69 °C
Flash Point
246.3°C
Density
1.20 g/mL at 20 °C(lit.)
Solubility
Freely soluble in methanol, water, alcohol, slightly soluble in ether
Appearance
Solid
Storage
2-8 °C
Assay
0.9999
Complexity
182
Exact Mass
205.1314080
Hazard Statements
Xn
Isomeric SMILES
CC(C)(CO)[C@H](C(=O)NCCCO)O
Monoisotopic Mass
205.1314080
Packaging
1 kg
pH
8.5-10.5 (100g/l, H₂O, 20°C)
Physical State
Liquid
pKa
13.03±0.20(Predicted)
Refractive Index
1.495-1.502
Safety Description
23-24/25-45-36/37/39-26-22
Storage Conditions
-20°C
Topological Polar Surface Area
89.8 Ų
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