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Alkyne-PEG7-N3

CAT: 0695-MD007006-7Size: InquireDry Ice: NoHazardous: No
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CAS Number
1446411-30-8

Chemical Information

1-Azido-3,6,9,12,15,18,21-heptaoxatetracos-23-yne
CAS Number1446411-30-8
PubChem CID169545728
IUPAC Name3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
Molecular FormulaC17H31N3O7
Molecular Weight389.4
XLogP0.2
Topological Polar Surface Area79
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count27
Formal Charge0
Complexity397
SMILES
C#CCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C17H31N3O7/c1-2-4-21-6-8-23-10-12-25-14-16-27-17-15-26-13-11-24-9-7-22-5-3-19-20-18/h1H,3-17H2
InChIKey
MMUJLNZWXIZMCV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Azido-3,6,9,12,15,18,21-heptaoxatetracos-23-yne
CAS: 1446411-30-8
CID: 169545728
Formula: C17H31N3O7
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass389.21620034
Monoisotopic Mass389.21620034
Topological Polar Surface Area79 Ų
Heavy Atom Count27
Formal Charge0
Complexity397
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes