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Sulfur Trioxide Triethylamine Complex

CAT: 0572-TRC-S789455-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-S789455-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
761-01-3
Synonyms
Triethylamine compounded with SO3; Triethylamine compounded with sulfur trioxide; N,N-Diethyl-ethanamine compounded with sulfur trioxide; Sulfur Trioxide compounded with triethylamine; NSC 68185; NSC 8168; Sulfur trioxide-triethylamine compound; Sulfur trioxide-triethylamine complex; Triethylamine-sulfur trioxide compound; Triethylamine-sulfur trioxide complex
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3261; Packing Group: II
Purity
>95% (HPLC)
Smiles
CCN(CC)CC.O=S(=O)=O
Molecular Formula
C6H15NO3S
Molecular Weight
181.25
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sulfur trioxide triethylamine complex
CAS Number761-01-3
PubChem CID222301
IUPAC NameN,N-diethylethanamine;sulfur trioxide
Molecular FormulaC6H15NO3S
Molecular Weight181.26
Topological Polar Surface Area55.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity87
SMILES
CCN(CC)CC.O=S(=O)=O
InChI
InChI=1S/C6H15N.O3S/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3;
InChIKey
YYHPEVZFVMVUNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfur trioxide triethylamine complex
CAS: 761-01-3
CID: 222301
Formula: C6H15NO3S
MW: 181.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.26
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass181.07726451
Monoisotopic Mass181.07726451
Topological Polar Surface Area55.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity87.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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