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21863-66-1 | 1-Piperazinecarboxaldehyde,4-(1-methylethyl)-
CAS No: 21863-66-1 Catalog No: AG006YZV MDL No:
Product Description
Catalog Number:
AG006YZV
Chemical Name:
1-Piperazinecarboxaldehyde,4-(1-methylethyl)-
CAS Number:
21863-66-1
Molecular Formula:
C8H16N2O
Molecular Weight:
156.2254
IUPAC Name:
4-propan-2-ylpiperazine-1-carbaldehyde
InChI:
InChI=1S/C8H16N2O/c1-8(2)10-5-3-9(7-11)4-6-10/h7-8H,3-6H2,1-2H3
InChI Key:
UGRNAAOSAUZBIT-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)C(C)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.229g/mol
Monoisotopic Mass:
156.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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