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2465-79-4 | 2-Piperazineacetonitrile
CAS No: 2465-79-4 Catalog No: AG002OY0 MDL No:
Product Description
Catalog Number:
AG002OY0
Chemical Name:
2-Piperazineacetonitrile
CAS Number:
2465-79-4
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
IUPAC Name:
2-piperazin-2-ylacetonitrile
InChI:
InChI=1S/C6H11N3/c7-2-1-6-5-8-3-4-9-6/h6,8-9H,1,3-5H2
InChI Key:
TVKAZNBVXZKTAV-UHFFFAOYSA-N
SMILES:
C(C#N)C1CNCCN1
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
125.175g/mol
Monoisotopic Mass:
125.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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