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6935-82-6 | 4-benzylpiperazine-1-carbaldehyde
CAS No: 6935-82-6 Catalog No: AG006FUE MDL No:
Product Description
Catalog Number:
AG006FUE
Chemical Name:
4-benzylpiperazine-1-carbaldehyde
CAS Number:
6935-82-6
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
IUPAC Name:
4-benzylpiperazine-1-carbaldehyde
InChI:
InChI=1S/C12H16N2O/c15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChI Key:
UPRPMAXKKSSVTD-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)Cc1ccccc1
NSC Number:
32366
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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