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N-Phenylaza-15-crown 5-Ether

Catalog Number
ACM66750105-1
Product Name
N-Phenylaza-15-crown 5-Ether
Structure
CAS
66750-10-5
Category
Macrocycles
IUPAC Name
13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
Molecular Weight
295.37g/mol
Molecular Formula
C16H25NO4
Canonical SMILES
C1COCCOCCOCCOCCN1C2=CC=CC=C2
InChI
InChI=1S/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2
InChI Key
SGDQOAKAHLFKBV-UHFFFAOYSA-N
Solubility
>44.3 [ug/mL]
Complexity
230
Covalently-Bonded Unit Count
1
EC Number
266-470-6
Exact Mass
295.178358g/mol
Formal Charge
0
Heavy Atom Count
21
Monoisotopic Mass
295.178358g/mol
Rotatable Bond Count
1
XLogP3
0.9
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