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197968-59-5 | Acetonitrile, 2-[2-(1-piperazinyl)ethoxy]-
CAS No: 197968-59-5 Catalog No: AG002B79 MDL No:
Product Description
Catalog Number:
AG002B79
Chemical Name:
Acetonitrile, 2-[2-(1-piperazinyl)ethoxy]-
CAS Number:
197968-59-5
Molecular Formula:
C8H15N3O
Molecular Weight:
169.2242
IUPAC Name:
2-(2-piperazin-1-ylethoxy)acetonitrile
InChI:
InChI=1S/C8H15N3O/c9-1-7-12-8-6-11-4-2-10-3-5-11/h10H,2-8H2
InChI Key:
BOYYEFKLRCHMJF-UHFFFAOYSA-N
SMILES:
N#CCOCCN1CCNCC1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.122g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.228g/mol
Monoisotopic Mass:
169.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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