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139605-65-5 | 1-Piperazinecarboxaldehyde, 4-(2-oxiranylmethyl)-
CAS No: 139605-65-5 Catalog No: AG001BDS MDL No:
Product Description
Catalog Number:
AG001BDS
Chemical Name:
1-Piperazinecarboxaldehyde, 4-(2-oxiranylmethyl)-
CAS Number:
139605-65-5
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
IUPAC Name:
4-(oxiran-2-ylmethyl)piperazine-1-carbaldehyde
InChI:
InChI=1S/C8H14N2O2/c11-7-10-3-1-9(2-4-10)5-8-6-12-8/h7-8H,1-6H2
InChI Key:
OTDYIHDCKPWTDO-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)CC1OC1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.212g/mol
Monoisotopic Mass:
170.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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